 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_wB97XD-augccpVDZr.in
 Output=12_L-valine_conformer05_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-160781.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    160793.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:54 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0117958552 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.3083891325 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:              10.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.67D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:47:57 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:57 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:57 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.308041385926    
 DIIS: error= 1.80D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.308041385926     IErMin= 1 ErrMin= 1.80D-03
 ErrMax= 1.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-03 BMatP= 5.55D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.80D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.28D-02 MaxDP=1.12D+00              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.25D-02    CP:  1.10D+00
 E= -402.312772640234     Delta-E=       -0.004731254308 Rises=F Damp=F
 DIIS: error= 3.28D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.312772640234     IErMin= 2 ErrMin= 3.28D-04
 ErrMax= 3.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-04 BMatP= 5.55D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.28D-03
 Coeff-Com: -0.489D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.488D-01 0.105D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=1.77D-03 MaxDP=1.60D-01 DE=-4.73D-03 OVMax= 5.66D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.72D-04    CP:  1.10D+00  1.13D+00
 E= -402.312904919015     Delta-E=       -0.000132278781 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.312904919015     IErMin= 2 ErrMin= 3.28D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-05 BMatP= 1.12D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.424D-01 0.511D+00 0.532D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.423D-01 0.509D+00 0.534D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=6.83D-03 DE=-1.32D-04 OVMax= 1.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.71D-05    CP:  1.10D+00  1.14D+00  1.10D+00
 E= -402.312965908739     Delta-E=       -0.000060989724 Rises=F Damp=F
 DIIS: error= 7.45D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.312965908739     IErMin= 4 ErrMin= 7.45D-05
 ErrMax= 7.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-06 BMatP= 8.71D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-02-0.353D-01 0.979D-01 0.939D+00
 Coeff:     -0.170D-02-0.353D-01 0.979D-01 0.939D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=5.80D-03 DE=-6.10D-05 OVMax= 1.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.40D-05    CP:  1.10D+00  1.14D+00  1.21D+00  1.44D+00
 E= -402.312969629314     Delta-E=       -0.000003720575 Rises=F Damp=F
 DIIS: error= 3.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.312969629314     IErMin= 5 ErrMin= 3.88D-05
 ErrMax= 3.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-06 BMatP= 2.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-02-0.671D-01-0.308D-02 0.484D+00 0.583D+00
 Coeff:      0.319D-02-0.671D-01-0.308D-02 0.484D+00 0.583D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.06D-05 MaxDP=1.06D-03 DE=-3.72D-06 OVMax= 2.98D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.78D-06    CP:  1.10D+00  1.14D+00  1.23D+00  1.58D+00  1.12D+00
 E= -402.312970598037     Delta-E=       -0.000000968722 Rises=F Damp=F
 DIIS: error= 1.47D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.312970598037     IErMin= 6 ErrMin= 1.47D-05
 ErrMax= 1.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-08 BMatP= 1.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-02-0.239D-01-0.134D-01 0.846D-01 0.248D+00 0.703D+00
 Coeff:      0.158D-02-0.239D-01-0.134D-01 0.846D-01 0.248D+00 0.703D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=6.55D-06 MaxDP=7.59D-04 DE=-9.69D-07 OVMax= 1.54D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.03D-06    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.19D+00
                    CP:  1.15D+00
 E= -402.312970695172     Delta-E=       -0.000000097136 Rises=F Damp=F
 DIIS: error= 2.95D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.312970695172     IErMin= 7 ErrMin= 2.95D-06
 ErrMax= 2.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-09 BMatP= 8.95D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-04 0.328D-02-0.299D-02-0.527D-01-0.761D-02 0.246D+00
 Coeff-Com:  0.814D+00
 Coeff:     -0.194D-04 0.328D-02-0.299D-02-0.527D-01-0.761D-02 0.246D+00
 Coeff:      0.814D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=3.06D-06 MaxDP=3.36D-04 DE=-9.71D-08 OVMax= 8.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.10D+00  1.14D+00  1.23D+00  1.64D+00  1.22D+00
                    CP:  1.16D+00  1.26D+00
 E= -402.312970711749     Delta-E=       -0.000000016576 Rises=F Damp=F
 DIIS: error= 7.32D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.312970711749     IErMin= 8 ErrMin= 7.32D-07
 ErrMax= 7.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.35D-10 BMatP= 9.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03 0.254D-02 0.630D-03-0.176D-01-0.222D-01-0.242D-01
 Coeff-Com:  0.138D+00 0.923D+00
 Coeff:     -0.130D-03 0.254D-02 0.630D-03-0.176D-01-0.222D-01-0.242D-01
 Coeff:      0.138D+00 0.923D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=8.65D-07 MaxDP=4.19D-05 DE=-1.66D-08 OVMax= 3.25D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.49D-07    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.21D+00
                    CP:  1.17D+00  1.34D+00  1.18D+00
 E= -402.312970713285     Delta-E=       -0.000000001537 Rises=F Damp=F
 DIIS: error= 2.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.312970713285     IErMin= 9 ErrMin= 2.69D-07
 ErrMax= 2.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-11 BMatP= 5.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-04 0.320D-03 0.438D-03 0.744D-03-0.365D-02-0.289D-01
 Coeff-Com: -0.442D-01 0.197D+00 0.879D+00
 Coeff:     -0.301D-04 0.320D-03 0.438D-03 0.744D-03-0.365D-02-0.289D-01
 Coeff:     -0.442D-01 0.197D+00 0.879D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.86D-07 MaxDP=1.52D-05 DE=-1.54D-09 OVMax= 1.12D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.50D-07    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.21D+00
                    CP:  1.17D+00  1.36D+00  1.24D+00  1.03D+00
 E= -402.312970713494     Delta-E=       -0.000000000209 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.312970713494     IErMin=10 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-11 BMatP= 6.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-04-0.387D-03-0.270D-04 0.326D-02 0.345D-02-0.201D-02
 Coeff-Com: -0.334D-01-0.114D+00 0.205D+00 0.937D+00
 Coeff:      0.162D-04-0.387D-03-0.270D-04 0.326D-02 0.345D-02-0.201D-02
 Coeff:     -0.334D-01-0.114D+00 0.205D+00 0.937D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.37D-07 MaxDP=1.46D-05 DE=-2.09D-10 OVMax= 4.93D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.39D-08    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.25D+00  1.12D+00  1.28D+00
 E= -402.312970713522     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 4.07D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.312970713522     IErMin=11 ErrMin= 4.07D-08
 ErrMax= 4.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.73D-13 BMatP= 1.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.535D-05-0.989D-04-0.377D-04 0.579D-03 0.951D-03 0.201D-02
 Coeff-Com: -0.350D-02-0.387D-01-0.304D-01 0.172D+00 0.897D+00
 Coeff:      0.535D-05-0.989D-04-0.377D-04 0.579D-03 0.951D-03 0.201D-02
 Coeff:     -0.350D-02-0.387D-01-0.304D-01 0.172D+00 0.897D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.81D-08 MaxDP=1.47D-06 DE=-2.77D-11 OVMax= 1.50D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.53D-08    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.24D+00  1.13D+00  1.37D+00
                    CP:  1.18D+00
 E= -402.312970713536     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.25D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.312970713536     IErMin=12 ErrMin= 2.25D-08
 ErrMax= 2.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-13 BMatP= 9.73D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.889D-06 0.355D-04-0.107D-04-0.415D-03-0.307D-03 0.124D-02
 Coeff-Com:  0.515D-02 0.756D-02-0.493D-01-0.123D+00 0.337D+00 0.822D+00
 Coeff:     -0.889D-06 0.355D-04-0.107D-04-0.415D-03-0.307D-03 0.124D-02
 Coeff:      0.515D-02 0.756D-02-0.493D-01-0.123D+00 0.337D+00 0.822D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.55D-08 MaxDP=1.25D-06 DE=-1.46D-11 OVMax= 5.37D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.44D-09    CP:  1.10D+00  1.14D+00  1.23D+00  1.63D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.24D+00  1.13D+00  1.39D+00
                    CP:  1.28D+00  1.31D+00
 E= -402.312970713523     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 7.39D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -402.312970713536     IErMin=13 ErrMin= 7.39D-09
 ErrMax= 7.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-14 BMatP= 3.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-06 0.210D-04 0.326D-05-0.164D-03-0.201D-03 0.911D-05
 Coeff-Com:  0.157D-02 0.656D-02-0.628D-02-0.483D-01-0.395D-01 0.167D+00
 Coeff-Com:  0.919D+00
 Coeff:     -0.950D-06 0.210D-04 0.326D-05-0.164D-03-0.201D-03 0.911D-05
 Coeff:      0.157D-02 0.656D-02-0.628D-02-0.483D-01-0.395D-01 0.167D+00
 Coeff:      0.919D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.51D-09 MaxDP=2.73D-07 DE= 1.36D-11 OVMax= 1.89D-07

 SCF Done:  E(RwB97XD) =  -402.312970714     A.U. after   13 cycles
            NFock= 13  Conv=0.45D-08     -V/T= 2.0063
 KE= 3.998110770035D+02 PE=-1.753851841183D+03 EE= 5.444194043332D+02
 Leave Link  502 at Sun Sep 26 19:49:54 2021, MaxMem=  6442450944 cpu:             933.6 elap:             117.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.86459027D+02

 Leave Link  801 at Sun Sep 26 19:49:55 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.63D-01 5.41D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.22D-02 2.47D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.95D-03 9.93D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.16D-04 2.31D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.84D-06 3.07D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.16D-07 5.14D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.00D-09 7.24D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 6.02D-11 1.10D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 8.12D-13 1.11D-07.
      3 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.07D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.880366D+02
      2  0.312019D+01  0.797792D+02
      3  0.366680D+00  0.129569D+01  0.736350D+02
 Isotropic polarizability for W=    0.088559       80.48 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.776425D+02 -0.193927D+02  0.559515D+01
      2  -0.308916D+02  0.184314D+02  0.341616D+01
      3  -0.467509D+02  0.961359D+00 -0.901131D+01
      4  -0.226851D+02  0.689677D+02 -0.813336D+01
      5  -0.233132D-02 -0.900257D+01  0.264334D+02
      6  -0.294163D+01 -0.210051D+01 -0.126297D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.435418D+00 -0.477725D+01  0.227063D+01
      2   0.207967D+01 -0.311637D+01  0.214656D+02
      3   0.671761D+01 -0.384205D+02  0.321270D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.869214D+00 -0.551667D+01  0.135911D+02
      2   0.559748D+01 -0.519173D+01  0.731843D+02
      3  -0.329241D+01 -0.998593D+02  0.606094D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.169135D+00  0.684496D+00 -0.959725D+00
      2   0.684496D+00  0.907107D-01  0.904342D+00
      3  -0.959725D+00  0.904342D+00 -0.260656D+00
 OR G Eigenvalues:    -1.8367     0.6378     0.8598  Iso=     0.1130
 Eigenvectors:
   (1)   0.576791  -0.505808   0.641460
   (2)   0.770648   0.597377  -0.221907
   (3)  -0.270951   0.622334   0.734361
 w=    0.088559 a.u., Optical Rotation Beta=      0.1130 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       48.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 9.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.31D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.33D-02 1.98D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.42D-03 4.39D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 2.04D-05 4.43D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.74D-07 6.33D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.00D-09 4.38D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.26D-11 2.86D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 7.81D-14 2.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880366D+02  0.312019D+01  0.366680D+00
      2   0.312019D+01  0.797792D+02  0.129569D+01
      3   0.366680D+00  0.129569D+01  0.736350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.435418D+00 -0.477725D+01  0.227063D+01
      2   0.207967D+01 -0.311637D+01  0.214656D+02
      3   0.671761D+01 -0.384205D+02  0.321270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.776425D+02 -0.193927D+02  0.559515D+01
      2  -0.308916D+02  0.184314D+02  0.341616D+01
      3  -0.467509D+02  0.961359D+00 -0.901131D+01
      4  -0.226851D+02  0.689677D+02 -0.813336D+01
      5  -0.233132D-02 -0.900257D+01  0.264334D+02
      6  -0.294163D+01 -0.210051D+01 -0.126297D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103252D+01  0.487951D+01 -0.329932D+01  0.425408D+01 -0.670541D+00
      2   0.487951D+01 -0.943176D+00  0.424616D+00 -0.670541D+00 -0.348197D+01
      3  -0.329932D+01  0.424616D+00 -0.939238D+00  0.337629D+00 -0.122085D+01
                 6             7             8             9            10 
      1   0.337629D+00 -0.365132D+01  0.521518D+00 -0.119674D+01  0.116668D-01
      2  -0.122085D+01  0.521518D+00 -0.192379D+01  0.291161D+01 -0.436721D+01
      3   0.210929D+01 -0.119674D+01  0.291161D+01  0.527636D+01  0.201224D+01
                11            12            13            14            15 
      1  -0.436721D+01  0.201224D+01 -0.586935D+01  0.851189D+00 -0.141121D+00
      2   0.132076D+01  0.334395D-01  0.851189D+00  0.481389D+01  0.809819D+00
      3   0.334395D-01  0.134737D+01 -0.141121D+00  0.809819D+00 -0.159914D+01
                16            17            18            19            20 
      1   0.378132D+01 -0.220767D-01  0.196962D+01 -0.708897D+00  0.442184D+01
      2  -0.220767D-01  0.148422D+01 -0.197809D+01  0.442184D+01  0.123540D+00
      3   0.196962D+01 -0.197809D+01 -0.799432D+01 -0.239344D+01 -0.266381D+00
                21            22            23            24            25 
      1  -0.239344D+01  0.311262D+01 -0.154591D+01 -0.435670D+00 -0.291955D+01
      2  -0.266381D+00 -0.154591D+01 -0.462209D+01 -0.144810D+01 -0.639073D-01
      3  -0.939890D+00 -0.435670D+00 -0.144810D+01  0.129609D+01 -0.135385D+01
                26            27            28            29            30 
      1  -0.639073D-01 -0.135385D+01  0.488338D-01  0.896244D-01  0.365687D+01
      2  -0.207528D+01  0.983071D+00  0.896244D-01  0.225127D+01  0.145941D+01
      3   0.983071D+00  0.658283D+01  0.365687D+01  0.145941D+01  0.238525D+01
                31            32            33            34            35 
      1   0.117681D+01  0.119960D+01  0.161478D+01  0.497733D+01  0.202545D+01
      2   0.119960D+01  0.586246D+00  0.156652D+01  0.202545D+01  0.246777D+01
      3   0.161478D+01  0.156652D+01  0.104846D+01  0.218170D+01  0.566155D+00
                36            37            38            39            40 
      1   0.218170D+01  0.580436D+01  0.197162D+01 -0.109112D+01  0.274372D+01
      2   0.566155D+00  0.197162D+01  0.649704D+00 -0.107253D+01  0.513748D+00
      3   0.661153D-01 -0.109112D+01 -0.107253D+01  0.115815D+01 -0.131586D+01
                41            42            43            44            45 
      1   0.513748D+00 -0.131586D+01  0.341627D+00 -0.434587D+00 -0.796864D+00
      2   0.112144D+01  0.946353D+00 -0.434587D+00  0.188340D+01  0.239143D+00
      3   0.946353D+00  0.864980D+00 -0.796864D+00  0.239143D+00  0.497015D+01
                46            47            48            49            50 
      1   0.440249D+00  0.386854D+01 -0.266908D+01  0.469434D+01 -0.126069D+01
      2   0.386854D+01 -0.277226D+00  0.479006D+00 -0.126069D+01 -0.549637D+01
      3  -0.266908D+01  0.479006D+00 -0.222331D+01  0.615059D+00 -0.143829D+01
                51            52            53            54            55 
      1   0.615059D+00 -0.426984D+01  0.345320D+00 -0.327562D+01  0.254228D+01
      2  -0.143829D+01  0.345320D+00 -0.151299D+01  0.160157D+01 -0.270644D+01
      3   0.191470D+01 -0.327562D+01  0.160157D+01  0.550207D+01  0.130204D+01
                56            57            58            59            60 
      1  -0.270644D+01  0.130204D+01 -0.795954D+00  0.260360D+01 -0.451966D+00
      2   0.193274D+01 -0.692007D+00  0.260360D+01  0.481191D+01  0.119649D+01
      3  -0.692007D+00  0.248815D+01 -0.451966D+00  0.119649D+01 -0.102444D+01
                61            62            63            64            65 
      1   0.190367D+01 -0.873334D+00  0.291226D+01 -0.713690D+01 -0.265624D+01
      2  -0.873334D+00  0.125894D+01 -0.934041D+00 -0.265624D+01 -0.280858D+01
      3   0.291226D+01 -0.934041D+00 -0.341564D+01 -0.426389D+01 -0.109873D+01
                66            67            68            69            70 
      1  -0.426389D+01 -0.303539D+01 -0.227718D+01 -0.117304D+01 -0.568199D+01
      2  -0.109873D+01 -0.227718D+01 -0.306445D+01 -0.276185D+01 -0.186313D+01
      3  -0.335490D+01 -0.117304D+01 -0.276185D+01 -0.185978D+01 -0.387442D+01
                71            72            73            74            75 
      1  -0.186313D+01 -0.387442D+01  0.652403D+00 -0.530969D+00 -0.845828D+00
      2  -0.377683D+01 -0.200753D+01 -0.530969D+00  0.405488D+00  0.228697D-01
      3  -0.200753D+01 -0.688260D+01 -0.845828D+00  0.228697D-01  0.971897D+00
                76            77            78            79            80 
      1  -0.640596D+00  0.218415D+00  0.412615D-01 -0.140131D+01  0.165320D+00
      2   0.218415D+00  0.408261D+00 -0.939515D+00  0.165320D+00 -0.137811D+01
      3   0.412615D-01 -0.939515D+00 -0.410814D+00  0.448838D+00  0.218981D-01
                81            82            83            84            85 
      1   0.448838D+00 -0.664943D+00  0.860499D+00  0.893568D+00  0.979611D+00
      2   0.218981D-01  0.860499D+00 -0.378094D+00 -0.427599D-01 -0.218805D+00
      3  -0.715461D+01  0.893568D+00 -0.427599D-01 -0.524139D+00 -0.149668D-01
                86            87            88            89            90 
      1  -0.218805D+00 -0.149668D-01  0.145136D+01 -0.959811D-01 -0.389911D+00
      2  -0.160062D+00  0.109203D+01 -0.959811D-01  0.170687D+01  0.845002D+00
      3   0.109203D+01  0.997238D+00 -0.389911D+00  0.845002D+00  0.803743D+01
                91            92            93            94            95 
      1  -0.782129D+01 -0.194860D+01  0.312038D+01 -0.265768D+01 -0.157244D+01
      2  -0.194860D+01 -0.143644D+01  0.796269D+00 -0.157244D+01 -0.102829D+01
      3   0.312038D+01  0.796269D+00 -0.254485D+01  0.117638D+01  0.887950D+00
                96            97            98            99           100 
      1   0.117638D+01  0.104403D+01  0.241688D+00 -0.110086D+01 -0.232279D+01
      2   0.887950D+00  0.241688D+00  0.429327D+00 -0.342820D+00  0.277406D+01
      3  -0.108439D+01 -0.110086D+01 -0.342820D+00  0.156098D+01 -0.119116D+01
               101           102           103           104           105 
      1   0.277406D+01 -0.119116D+01  0.247397D+01 -0.243563D+01  0.999671D+00
      2  -0.346055D+01  0.124549D+01 -0.243563D+01  0.458659D+01 -0.131108D+01
      3   0.124549D+01 -0.128201D+01  0.999671D+00 -0.131108D+01  0.124133D+01
               106           107           108           109           110 
      1  -0.215168D+01  0.172104D+01 -0.143424D+01 -0.290239D+00  0.763062D+00
      2   0.172104D+01 -0.300595D+01  0.177617D+01  0.763062D+00 -0.579899D+00
      3  -0.143424D+01  0.177617D+01 -0.178893D+01  0.385256D+00 -0.543503D+00
               111           112           113           114           115 
      1   0.385256D+00  0.612594D+00 -0.260856D+00 -0.469142D+00  0.142842D+01
      2  -0.543503D+00 -0.260856D+00  0.126154D+01  0.784866D+00 -0.659554D+00
      3  -0.953614D+00 -0.469142D+00  0.784866D+00  0.941300D+00 -0.122419D+01
               116           117           118           119           120 
      1  -0.659554D+00 -0.122419D+01  0.709447D+01 -0.168474D+01  0.239715D+01
      2   0.262847D+01  0.200587D+01 -0.168474D+01  0.129035D+01 -0.560787D+00
      3   0.200587D+01  0.536567D+01  0.239715D+01 -0.560787D+00  0.190637D+01
               121           122           123           124           125 
      1  -0.354103D+01  0.164275D+01 -0.871020D+00  0.424146D+01 -0.703479D+00
      2   0.164275D+01 -0.852412D+00  0.876245D+00 -0.703479D+00  0.117334D+01
      3  -0.871020D+00  0.876245D+00 -0.111637D+01  0.241963D+01 -0.784718D+00
               126           127           128           129           130 
      1   0.241963D+01  0.132138D+01 -0.356765D+00 -0.977701D+00 -0.105802D+01
      2  -0.784718D+00 -0.356765D+00  0.245619D+00  0.246484D-01  0.531572D+00
      3   0.159132D+01 -0.977701D+00  0.246484D-01  0.117258D+01  0.280704D+00
               131           132           133           134           135 
      1   0.531572D+00  0.280704D+00 -0.271728D+01 -0.685439D-01  0.269441D+01
      2   0.693565D-01 -0.776035D+00 -0.685439D-01 -0.133621D+01 -0.373076D+00
      3  -0.776035D+00 -0.104941D+01  0.269441D+01 -0.373076D+00 -0.701495D+01
               136           137           138           139           140 
      1   0.630620D+00  0.882930D+00  0.362181D+00  0.240891D+01  0.193138D+01
      2   0.882930D+00  0.105061D+01  0.578142D-01  0.193138D+01  0.778839D+01
      3   0.362181D+00  0.578142D-01  0.333976D+00  0.617385D-01  0.666339D+00
               141           142           143           144           145 
      1   0.617385D-01  0.785950D+00  0.195744D+00  0.699580D+00  0.437207D+01
      2   0.666339D+00  0.195744D+00  0.949327D+00  0.794487D+00 -0.314221D+01
      3   0.102586D+01  0.699580D+00  0.794487D+00 -0.689837D-01  0.179309D+01
               146           147           148           149           150 
      1  -0.314221D+01  0.179309D+01 -0.231176D+01  0.232189D+01 -0.841361D+00
      2   0.354374D+01 -0.112054D+01  0.232189D+01 -0.331366D+01  0.133984D+01
      3  -0.112054D+01  0.158924D+01 -0.841361D+00  0.133984D+01 -0.118698D+01
               151           152           153           154           155 
      1   0.227188D+01 -0.132400D+01  0.149921D+01 -0.520320D+01 -0.227009D+01
      2  -0.132400D+01  0.236367D+01 -0.169407D+01 -0.227009D+01 -0.328989D+01
      3   0.149921D+01 -0.169407D+01  0.132872D+01  0.136386D+01  0.719530D+00
               156           157           158           159           160 
      1   0.136386D+01 -0.199630D+01 -0.177262D+01  0.537889D+00  0.175083D+01
      2   0.719530D+00 -0.177262D+01 -0.241178D+01  0.810436D+00  0.601373D+00
      3  -0.111809D+01  0.537889D+00  0.810436D+00 -0.906969D+00 -0.840029D+00
               161           162           163           164           165 
      1   0.601373D+00 -0.840029D+00  0.197408D+00 -0.848437D+00 -0.555090D+00
      2   0.149147D+01 -0.116097D+01 -0.848437D+00  0.360036D+00  0.134135D+00
      3  -0.116097D+01  0.553935D+00 -0.555090D+00  0.134135D+00  0.527050D+00
               166           167           168           169           170 
      1  -0.550565D+00  0.200535D+00  0.490384D-01 -0.118492D+01  0.291141D+00
      2   0.200535D+00 -0.101654D+01 -0.108117D+01  0.291141D+00 -0.282763D+01
      3   0.490384D-01 -0.108117D+01 -0.120095D+01  0.661469D+00 -0.246966D+01
               171 
      1   0.661469D+00
      2  -0.246966D+01
      3  -0.651555D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689254D+01  0.782903D+00 -0.172936D+01  0.401941D+00 -0.532045D+01
      2  -0.389232D+01  0.109154D+01  0.626341D+00  0.524140D+00 -0.107446D+01
      3  -0.911639D+01 -0.138934D+02  0.679208D+01 -0.772072D+01  0.579200D+01
                 6             7             8             9            10 
      1   0.290353D+01 -0.264481D+01  0.964798D+01  0.109895D+02 -0.440899D+00
      2   0.249427D+01 -0.330970D+01  0.349057D+01  0.625378D+01  0.308765D+01
      3   0.847915D+00  0.727777D+01  0.531836D+00 -0.139230D+01  0.738280D+01
                11            12            13            14            15 
      1  -0.119095D+00  0.352795D+00 -0.111661D+01  0.242377D+01 -0.284626D+01
      2  -0.147254D-01  0.456274D+01 -0.733279D+00  0.765630D+00 -0.206311D+01
      3  -0.304334D+01  0.659428D-01  0.296182D+01 -0.612480D+01 -0.128058D+01
                16            17            18            19            20 
      1   0.702399D+00  0.371398D+01 -0.246075D+01 -0.127972D+01 -0.175397D+01
      2  -0.189512D+01 -0.254789D+01 -0.103580D+02  0.359386D+01 -0.124420D+00
      3   0.176866D+01 -0.225572D+01  0.239667D+01 -0.179642D+01 -0.282424D+01
                21            22            23            24            25 
      1  -0.170266D+00 -0.149318D+01  0.313029D+01  0.569277D+00  0.953506D+00
      2   0.902207D-01  0.189837D+01 -0.277003D+00  0.571692D-01 -0.656655D+01
      3  -0.226875D+00 -0.313765D+00 -0.498390D+01  0.198811D+01 -0.306473D+01
                26            27            28            29            30 
      1   0.502206D+01 -0.286127D+01 -0.207599D+01 -0.345931D+01  0.384569D+01
      2   0.406590D-01 -0.884707D+00 -0.392749D+01 -0.363737D+00 -0.731415D+00
      3   0.189763D+01 -0.877457D+00 -0.853174D+01  0.544822D+01  0.866474D+00
                31            32            33            34            35 
      1   0.175361D+01 -0.157429D+01 -0.951013D+01  0.140351D+01 -0.572522D+01
      2   0.284739D+01 -0.194594D+01 -0.636816D+01 -0.438646D+00 -0.285489D+01
      3   0.198725D+02  0.136951D+02 -0.472114D+00 -0.900750D+00 -0.240323D+01
                36            37            38            39            40 
      1   0.371421D+01  0.177780D+01 -0.410401D+00 -0.855491D-01  0.245238D+00
      2  -0.236152D+01 -0.311314D+01  0.163897D+00  0.249873D+00 -0.580846D+00
      3   0.659445D+00  0.365488D+01 -0.591609D+00 -0.159934D+01  0.381882D+00
                41            42            43            44            45 
      1   0.922840D+00 -0.236103D+00 -0.172150D+00  0.554706D+01  0.548114D+00
      2  -0.337301D+01 -0.785536D+00 -0.658017D+01 -0.147225D+01 -0.880034D+01
      3   0.604710D+00  0.304016D+01  0.114811D+00  0.357387D+01  0.946618D+00
                46            47            48            49            50 
      1   0.115207D+01  0.494531D+00  0.549456D+00  0.142858D+01  0.197683D+01
      2  -0.944832D+01  0.137939D+01 -0.547258D+01  0.242344D+01 -0.428188D+01
      3  -0.100575D+02  0.113699D+01 -0.230490D+01  0.960156D+01  0.174287D+02
                51            52            53            54            55 
      1  -0.239155D+01  0.145227D+01  0.120368D+01 -0.266985D+01 -0.162003D+01
      2   0.504751D+01 -0.133098D+02  0.403697D+01  0.151590D+02  0.954883D+00
      3   0.381567D+01 -0.373698D+01  0.454830D+01 -0.617304D+01  0.670973D+01
                56            57            58            59            60 
      1   0.336317D+01 -0.741154D+01  0.265699D+01 -0.441634D+01 -0.247960D+01
      2   0.176101D+01  0.433611D+01 -0.295691D-01  0.429114D+00  0.141585D+01
      3  -0.125333D+02  0.179511D+01  0.237752D+01  0.577404D+01 -0.283568D+01
                61            62            63            64            65 
      1  -0.754391D+01  0.774383D+01  0.837629D+01  0.230179D+01  0.625831D+01
      2  -0.143822D+01  0.464458D+00 -0.104913D+01  0.432394D-02  0.176366D-01
      3   0.387112D+01 -0.250035D+01  0.714354D+01  0.264121D+01 -0.744600D+01
                66            67            68            69            70 
      1  -0.288532D+01 -0.246581D+00  0.272275D+01 -0.113861D+01  0.671676D+00
      2   0.902175D+01 -0.341081D+01  0.398472D+01  0.534734D+01 -0.221107D+01
      3  -0.655673D+00 -0.334436D+01 -0.852396D+01 -0.261423D+01  0.274956D+00
                71            72            73            74            75 
      1   0.822627D+01 -0.206996D+01  0.917803D+00 -0.381127D+00 -0.368680D+00
      2   0.294807D+01  0.114250D+02  0.682704D+00 -0.577485D+00  0.933088D+00
      3  -0.234482D+01 -0.215570D+01  0.617962D+00 -0.755329D+00 -0.500251D+00
                76            77            78            79            80 
      1   0.303018D-01  0.393810D+00 -0.393412D+00 -0.571016D+00  0.349460D+01
      2  -0.785432D+00  0.246261D+00 -0.738686D-01 -0.385035D+01  0.294372D+00
      3   0.119962D+01  0.208385D-01 -0.139154D+00 -0.419113D+00  0.168700D+00
                81            82            83            84            85 
      1   0.337440D+01  0.963277D+00 -0.632729D+00 -0.112953D+00 -0.186811D+00
      2   0.835065D+00  0.230217D+01 -0.576750D+00 -0.393984D+00 -0.107907D+01
      3  -0.908615D-01 -0.938627D+00 -0.765064D+00 -0.268968D+00  0.129287D+01
                86            87            88            89            90 
      1   0.695866D+00 -0.453880D+00 -0.599850D+00  0.409615D+01  0.217092D+01
      2   0.174026D+01  0.115762D+01 -0.480088D+01  0.143003D+01  0.992375D+01
      3   0.113366D+00 -0.113257D+01 -0.127014D+00 -0.165341D+01 -0.630261D+00
                91            92            93            94            95 
      1  -0.121112D+01 -0.177495D+01 -0.408768D+00 -0.118457D+01 -0.146368D+01
      2   0.221871D+01  0.290103D+00  0.373499D+01  0.674767D+00 -0.206500D+00
      3  -0.179419D+01 -0.407293D+01  0.975296D+00 -0.161978D+01 -0.275786D+01
                96            97            98            99           100 
      1  -0.255327D+00  0.707593D+00  0.835218D+00 -0.423924D+00  0.260051D+01
      2   0.170297D+01 -0.548615D+00  0.212157D-01 -0.755080D+00 -0.152117D+01
      3   0.976612D+00  0.593023D+00  0.932171D+00 -0.535604D+00 -0.690335D+01
               101           102           103           104           105 
      1  -0.259432D+01  0.419955D+01 -0.261011D+01  0.214626D+01 -0.357780D+01
      2  -0.143073D+00  0.896701D+00  0.275286D+00  0.382197D-01 -0.768873D+00
      3   0.459631D+01 -0.296166D+01  0.780647D+01 -0.510503D+01  0.280426D+01
               106           107           108           109           110 
      1   0.347877D+01 -0.231367D+01  0.374694D+01 -0.126620D+01  0.897497D+00
      2  -0.126037D+01 -0.260039D+00  0.485262D+00  0.795011D+00  0.112094D+00
      3  -0.620321D+01  0.368744D+01 -0.382545D+01 -0.100784D+01  0.589620D+00
               111           112           113           114           115 
      1   0.333572D+01  0.968029D+00 -0.252127D+01 -0.266997D+01  0.353782D+01
      2  -0.141417D+00  0.199816D+00  0.146719D-01 -0.132741D+00 -0.274311D+01
      3   0.784283D+00  0.163657D+01 -0.107519D+01 -0.119989D+01  0.392710D+01
               116           117           118           119           120 
      1  -0.302374D+01 -0.137719D+02 -0.576563D+00  0.697888D+00  0.203955D-01
      2   0.162836D+00  0.560601D+00  0.628605D+01 -0.193075D+01  0.797246D+01
      3  -0.136914D+01 -0.365021D+01  0.668264D+01 -0.677489D+01  0.285569D+01
               121           122           123           124           125 
      1  -0.580631D-01 -0.737726D+00 -0.563761D+00 -0.347690D+00  0.168786D+01
      2  -0.219554D+01  0.247641D+01 -0.435872D+01  0.530195D+01 -0.251605D+01
      3  -0.425468D+01  0.405096D+01 -0.267121D+01  0.324330D+01 -0.477283D+01
               126           127           128           129           130 
      1  -0.147205D-02  0.586503D+00 -0.339680D+00 -0.741207D+00  0.398512D-01
      2   0.522268D+01 -0.251205D+01 -0.321188D-01  0.462048D+01  0.953867D-01
      3   0.318117D+01  0.147594D+01 -0.178862D+01 -0.592196D+00 -0.678103D+00
               131           132           133           134           135 
      1   0.705247D+00 -0.297380D+00 -0.950001D+00  0.342417D+01  0.297218D+01
      2  -0.197242D+01 -0.293767D+01  0.372294D+01 -0.133669D+01 -0.202119D+02
      3   0.867280D-01  0.174936D+01 -0.566949D+00  0.446972D+01  0.258114D+01
               136           137           138           139           140 
      1  -0.173928D+00 -0.315583D+00 -0.555224D+00 -0.151298D+00 -0.855053D+00
      2   0.122255D+01 -0.359888D-01  0.127173D+01 -0.152925D+00  0.212638D+01
      3  -0.203173D+01 -0.248075D+01  0.166237D-01  0.278274D+00 -0.229486D+02
               141           142           143           144           145 
      1  -0.296140D+01 -0.599024D+00  0.432610D+00 -0.305814D-01  0.342145D+01
      2   0.363161D+01  0.398532D+00  0.206317D+01 -0.362118D+00  0.101862D+01
      3  -0.199423D+01  0.327717D+00 -0.263462D+01 -0.140194D+01 -0.629932D+01
               146           147           148           149           150 
      1  -0.115940D+01  0.454455D+01 -0.165577D+01  0.206409D+01 -0.371687D+01
      2  -0.114731D+01  0.356887D+01 -0.412503D+00  0.137675D+01 -0.218840D+01
      3  -0.537967D+00 -0.248528D+01  0.444380D+01 -0.341445D+00  0.423930D+00
               151           152           153           154           155 
      1   0.290703D+01 -0.153027D+01  0.274233D+01  0.283412D+01  0.431226D+00
      2   0.246887D+00 -0.194930D+01  0.193798D+01  0.291840D+01  0.653557D+00
      3  -0.418677D+01 -0.921753D+00 -0.869652D+00  0.167766D+02  0.550356D+01
               156           157           158           159           160 
      1  -0.344594D+01  0.778988D+00  0.109538D+01 -0.279983D+01 -0.207962D+01
      2   0.469388D+00  0.730428D+00  0.103748D+01  0.225265D-01 -0.249073D+01
      3  -0.388904D+01  0.809346D+01  0.526900D+01 -0.207841D+01 -0.500110D+01
               161           162           163           164           165 
      1  -0.837746D+00  0.980926D+00 -0.101834D+01  0.150328D-01  0.106664D+01
      2  -0.960514D+00  0.259038D+00 -0.486098D+00  0.124608D+00  0.120500D+01
      3  -0.198893D+01  0.289870D+01  0.974960D+00  0.337076D+00  0.684847D+00
               166           167           168           169           170 
      1   0.215124D+00 -0.203580D+01 -0.400127D+01  0.125389D+01 -0.174923D+01
      2  -0.289055D+00 -0.110470D+01 -0.119978D+01 -0.225102D+01 -0.261418D+01
      3   0.200904D+01  0.584744D+00  0.956892D+00  0.280816D+01  0.303515D+01
               171 
      1  -0.146783D+02
      2  -0.746425D+01
      3   0.179518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104408D+02  0.117094D+02 -0.790591D+01  0.864315D+01 -0.123094D+02
      2  -0.172890D+02 -0.487301D+01  0.331932D+01 -0.277657D+01  0.169462D+02
      3   0.684816D+01 -0.683640D+01  0.458659D+01 -0.586657D+01 -0.463677D+01
      4   0.771826D+01 -0.199541D+02  0.132889D+02 -0.179539D+02 -0.341451D+01
      5  -0.741810D+01  0.614319D+01 -0.458450D+01  0.415697D+01 -0.357090D+01
      6   0.161266D+02 -0.174247D+01  0.404710D+01 -0.176923D+01  0.803053D+01
                 6             7             8             9            10 
      1  -0.799676D+00 -0.845910D+01  0.915102D-01  0.463029D+01 -0.140895D+02
      2   0.546496D+01  0.211561D+01  0.684808D+01 -0.497268D+01  0.101428D+02
      3  -0.466528D+01  0.634349D+01 -0.693959D+01  0.342386D+00  0.394674D+01
      4  -0.408653D+01  0.126425D+02 -0.633290D+01  0.100643D+02 -0.133196D+02
      5   0.553145D+01 -0.602183D+01  0.775530D+01  0.123735D+02  0.590267D+01
      6  -0.907453D+01  0.518262D+01 -0.131385D+02 -0.196590D+02 -0.229943D+01
                11            12            13            14            15 
      1  -0.141060D+02  0.412353D+01 -0.174580D+02  0.108322D+02  0.212051D+01
      2   0.755834D+01 -0.434419D+01  0.104568D+02 -0.129218D+02 -0.260613D+00
      3   0.654765D+01  0.220667D+00  0.700128D+01  0.208957D+01 -0.185989D+01
      4   0.463331D+01 -0.955150D+00  0.524731D+01  0.883106D+01  0.182119D+01
      5  -0.120846D-01  0.261579D+01  0.483140D-01  0.182402D+01 -0.477792D+01
      6   0.460624D+00 -0.125246D+01  0.811193D+00 -0.232046D+01 -0.694199D-01
                16            17            18            19            20 
      1   0.973729D+01  0.272806D+01  0.951298D+01 -0.131878D+02 -0.501273D+01
      2  -0.498147D+01 -0.376137D+00  0.541695D+01  0.135523D+02  0.851892D+01
      3  -0.475582D+01 -0.235192D+01 -0.149299D+02 -0.364512D+00 -0.350619D+01
      4  -0.126441D+01  0.238251D+01 -0.460996D+01  0.148360D+01  0.282746D+01
      5   0.862974D+01 -0.391902D+01 -0.188498D+02  0.672449D+01  0.131166D+01
      6  -0.747981D+00  0.516965D+01  0.261384D+00  0.168376D+01 -0.188748D+00
                21            22            23            24            25 
      1   0.255341D+01  0.769560D+01  0.116242D+02  0.570679D+01 -0.362740D+01
      2  -0.299062D+01 -0.696344D+01 -0.213509D+02 -0.327542D+01 -0.867628D+00
      3   0.437206D+00 -0.732152D+00  0.972666D+01 -0.243137D+01  0.449503D+01
      4   0.262280D+01 -0.103123D+02 -0.336218D+00  0.188229D+01  0.109830D+01
      5  -0.336394D+00  0.376274D+01  0.451846D+01  0.216452D+00  0.639221D+00
      6   0.387304D+00  0.210060D+01 -0.829701D+00 -0.270687D+01 -0.779001D-02
                26            27            28            29            30 
      1   0.446648D+01  0.629769D+01 -0.752464D+01 -0.635884D+00 -0.800577D+01
      2  -0.556382D+01  0.823835D+01  0.931429D+01  0.876200D+00  0.662974D+01
      3   0.109734D+01 -0.145360D+02 -0.178965D+01 -0.240317D+00  0.137603D+01
      4  -0.327344D+01  0.389145D+00 -0.517055D+01 -0.543408D+01 -0.678108D+01
      5   0.849162D+00  0.231881D+01 -0.187580D+02 -0.785217D+01 -0.187847D+02
      6   0.215713D+01  0.609183D+01 -0.521793D+01 -0.366605D+01 -0.562882D+01
                31            32            33            34            35 
      1  -0.455316D+01 -0.448897D+01 -0.409156D+01 -0.210922D+02 -0.874905D+01
      2   0.179971D+01  0.732977D+01  0.548122D+01  0.952673D+01  0.106859D+01
      3   0.275344D+01 -0.284080D+01 -0.138966D+01  0.115654D+02  0.768046D+01
      4   0.329910D+01 -0.970912D+01 -0.263266D+01 -0.131318D+02 -0.581321D+01
      5  -0.110783D+02 -0.634645D+01 -0.104924D+02 -0.190046D+02 -0.292615D+01
      6  -0.153814D+01 -0.563736D+01  0.397361D+00 -0.503341D+00 -0.828786D+01
                36            37            38            39            40 
      1  -0.272759D+01 -0.189802D+02 -0.797380D+01  0.515221D+01 -0.123103D+02
      2   0.764363D+01  0.834383D+01  0.347106D+01 -0.157646D+01  0.755694D+01
      3  -0.491604D+01  0.106364D+02  0.450274D+01 -0.357575D+01  0.475333D+01
      4  -0.267619D+01 -0.121509D+02 -0.484084D+00  0.601565D+01 -0.775046D+00
      5  -0.466081D+01  0.117573D+02  0.814826D+01  0.710812D+00  0.949268D+01
      6  -0.285946D+01  0.584503D+01  0.109657D+01 -0.221657D+01  0.203158D+01
                41            42            43            44            45 
      1  -0.615425D+01  0.540263D+01  0.224777D+01  0.125766D+01 -0.122651D+02
      2   0.498727D+01 -0.460174D+01  0.370256D+01  0.237687D+01 -0.110888D+02
      3   0.116698D+01 -0.800889D+00 -0.595033D+01 -0.363453D+01  0.233539D+02
      4  -0.367696D+01 -0.415929D+01  0.513001D+01 -0.350816D+01 -0.385818D+01
      5  -0.276467D+01 -0.436602D+01  0.102561D+02 -0.296908D+01 -0.209016D+02
      6   0.164609D+01  0.564152D+01 -0.270405D+01  0.830239D+01 -0.144878D+01
                46            47            48            49            50 
      1   0.114681D+01  0.229652D+02 -0.178561D+02  0.270951D+02 -0.356491D+01
      2   0.360495D+00 -0.138339D+02  0.844319D+01 -0.177923D+02 -0.395976D+01
      3  -0.150730D+01 -0.913131D+01  0.941288D+01 -0.930277D+01  0.752467D+01
      4   0.228536D+02 -0.187416D+01  0.239908D+01 -0.651360D+01 -0.257373D+02
      5  -0.199477D+02  0.314014D+01 -0.133319D+02  0.433525D+01 -0.934385D+01
      6  -0.205734D+00 -0.316342D+00  0.202169D+00 -0.157832D+01 -0.235660D+01
                51            52            53            54            55 
      1   0.592429D+01 -0.237365D+02  0.365164D+01 -0.126181D+02  0.165735D+02
      2  -0.311405D+01  0.949985D+01 -0.192238D+01  0.145855D+02 -0.156164D+02
      3  -0.281024D+01  0.142366D+02 -0.172926D+01 -0.196741D+01 -0.957071D+00
      4  -0.735948D+01  0.339216D+01 -0.621176D+01  0.857369D+01  0.791340D+01
      5   0.109876D+02 -0.206765D+02  0.930270D+01  0.289222D+02 -0.243685D+01
      6   0.119875D+01  0.438896D+00 -0.812827D+00  0.155091D+01  0.566239D+01
                56            57            58            59            60 
      1  -0.253502D+01  0.849592D-02 -0.683889D+01 -0.195880D+02 -0.412084D+01
      2   0.562329D+01 -0.253589D+01  0.131730D+02  0.329777D+02  0.538144D+01
      3  -0.308826D+01  0.252739D+01 -0.633409D+01 -0.133897D+02 -0.126060D+01
      4  -0.650184D+01  0.411234D+01  0.186443D+01  0.126058D+02 -0.437523D+01
      5   0.247195D+01  0.799481D+00 -0.125326D+00 -0.362808D+01  0.198784D+01
      6  -0.468995D+01  0.117033D+02 -0.543776D+01  0.591873D+01  0.134070D+01
                61            62            63            64            65 
      1   0.203694D+01 -0.931435D+00  0.210041D+01  0.386487D+02  0.904341D+01
      2  -0.269780D+01  0.581728D+01 -0.192507D+01 -0.256731D+02 -0.479338D+01
      3   0.660856D+00 -0.488585D+01 -0.175341D+00 -0.129756D+02 -0.425003D+01
      4   0.490763D+01 -0.346560D+01  0.106834D+02  0.136459D+02  0.152978D+02
      5   0.205141D+01  0.389102D+01  0.426770D+00  0.283293D+02  0.690044D+01
      6   0.142567D+02 -0.144038D+01 -0.136846D+02  0.528182D+01  0.646546D+01
                66            67            68            69            70 
      1   0.131072D+02  0.524044D+01  0.435105D+00 -0.547588D+00  0.185108D+02
      2  -0.120921D+02 -0.630424D+00  0.555159D+01  0.719786D-01 -0.171186D+02
      3  -0.101506D+01 -0.461001D+01 -0.598669D+01  0.475609D+00 -0.139217D+01
      4   0.671993D+01  0.167019D+02  0.176017D+02  0.111466D+02  0.917862D+01
      5   0.277386D+02  0.852617D+01  0.128625D+02  0.111002D+02  0.285126D+02
      6   0.511616D+01  0.487265D+01  0.907767D+01  0.114232D+02  0.542458D+01
                71            72            73            74            75 
      1   0.343439D+01  0.137196D+01  0.103696D+01 -0.116542D+00  0.321443D-01
      2  -0.407881D+01 -0.150173D+02 -0.404636D+01  0.487263D-01  0.147930D+01
      3   0.644415D+00  0.136454D+02  0.300939D+01  0.678155D-01 -0.151144D+01
      4   0.111197D+02  0.762578D+01  0.546013D+00  0.148223D+01 -0.123657D+01
      5   0.971680D+01  0.346190D+02 -0.236633D+01 -0.359467D+00  0.631919D+01
      6   0.121383D+02  0.902385D+01 -0.122686D+01 -0.728340D+00  0.860645D+00
                76            77            78            79            80 
      1   0.921454D-01 -0.404634D+01 -0.672313D+00  0.423109D+00  0.140151D+01
      2   0.191526D+00  0.154459D+01 -0.141816D+01  0.197714D+01 -0.205536D+01
      3  -0.283671D+00  0.250175D+01  0.209048D+01 -0.240025D+01  0.653853D+00
      4   0.203771D+01 -0.324466D+00 -0.636873D+00 -0.596869D+00  0.655704D-01
      5  -0.939124D-01 -0.102810D+01 -0.666572D+00  0.437702D+01  0.264810D+00
      6  -0.608051D+00 -0.151898D+00  0.562882D+01  0.128551D+00  0.398415D+01
                81            82            83            84            85 
      1  -0.150494D+02  0.158985D+01  0.229068D+01  0.260824D+01  0.287271D+01
      2  -0.139209D+02 -0.413952D+01 -0.850863D+00  0.241031D+00 -0.163966D+01
      3   0.289703D+02  0.254967D+01 -0.143982D+01 -0.284927D+01 -0.123305D+01
      4   0.724700D+00  0.214965D+01  0.793137D+00  0.110922D+00  0.132601D+01
      5  -0.299269D+01  0.594701D+00  0.203285D+00  0.477394D+01  0.503264D-01
      6  -0.705024D+01  0.678020D-01 -0.419230D+00 -0.433800D+00 -0.228762D+00
                86            87            88            89            90 
      1  -0.474853D+01 -0.156256D+01  0.434564D+01 -0.701330D+00 -0.163629D+02
      2   0.168211D+01 -0.117203D+01 -0.153108D+01 -0.234345D+01 -0.146047D+02
      3   0.306642D+01  0.273459D+01 -0.281456D+01  0.304478D+01  0.309676D+02
      4  -0.438837D+00  0.206151D+01  0.451133D+00  0.302693D+01  0.232973D+01
      5   0.225919D+01  0.204333D+01  0.292999D+01  0.174134D+01  0.168572D+02
      6   0.193547D+01  0.674395D+01  0.848933D-01  0.393326D+01  0.279292D+00
                91            92            93            94            95 
      1   0.372043D+02  0.832322D+01 -0.123273D+02  0.982208D+01  0.482970D+01
      2  -0.213917D+02 -0.426402D+01  0.907520D+01 -0.443524D+01 -0.105392D+01
      3  -0.158125D+02 -0.405920D+01  0.325213D+01 -0.538685D+01 -0.377578D+01
      4   0.112376D+02  0.769152D+01 -0.455163D+01  0.105989D+02  0.611558D+01
      5  -0.243512D+02 -0.620875D+01  0.154124D+02 -0.871156D+01 -0.566104D+01
      6  -0.545729D+01 -0.334821D+01  0.304835D+01 -0.424599D+01 -0.296896D+01
                96            97            98            99           100 
      1  -0.383268D+01 -0.162588D+01 -0.136295D-01  0.262428D+01 -0.224413D+01
      2   0.276090D+01  0.383170D+01  0.879873D+00 -0.432936D+01  0.835176D+01
      3   0.107178D+01 -0.220582D+01 -0.866244D+00  0.170509D+01 -0.610763D+01
      4  -0.448051D+01 -0.104991D+01 -0.116885D+01  0.167197D+01 -0.116124D+02
      5   0.596447D+01  0.804878D+01  0.215483D+01 -0.813597D+01  0.353517D+01
      6   0.336152D+01  0.143098D+01  0.157917D+01 -0.181578D+01 -0.696636D+01
               101           102           103           104           105 
      1   0.701207D+01 -0.209888D+01  0.437383D+01 -0.109174D+02  0.327011D+01
      2  -0.143219D+02  0.416163D+01 -0.997432D+01  0.202614D+02 -0.590549D+01
      3   0.730980D+01 -0.206275D+01  0.560049D+01 -0.934402D+01  0.263538D+01
      4   0.161357D+02 -0.623404D+01  0.139270D+02 -0.131672D+02  0.549923D+01
      5  -0.331579D+01  0.397278D+01 -0.158294D+01  0.302082D+01 -0.184512D+01
      6   0.857517D+01 -0.770110D+01  0.670891D+01 -0.881255D+01  0.784997D+01
               106           107           108           109           110 
      1  -0.355614D+01  0.653899D+01 -0.540741D+01 -0.167612D+01  0.172605D+01
      2   0.503653D+01 -0.937662D+01  0.446337D+01  0.217563D+01 -0.219708D+01
      3  -0.148039D+01  0.283763D+01  0.944038D+00 -0.499508D+00  0.471028D+00
      4  -0.900566D+01  0.840185D+01 -0.686755D+01 -0.122377D+01  0.459724D+01
      5   0.396697D+01 -0.329352D+01  0.351320D+01 -0.130391D+01  0.680068D+00
      6  -0.799960D+01  0.112133D+02 -0.942739D+01  0.120959D+01 -0.346661D+01
               111           112           113           114           115 
      1   0.190589D+01  0.572811D+00 -0.421077D+01 -0.222216D+01  0.136507D+01
      2  -0.157434D+01 -0.989870D+00  0.577985D+01  0.321395D+01 -0.129036D+01
      3  -0.331555D+00  0.417059D+00 -0.156908D+01 -0.991797D+00 -0.747067D-01
      4   0.163762D+01  0.400406D+01 -0.158513D+01 -0.261858D+01  0.532736D+01
      5   0.258975D+01  0.300132D+00 -0.141720D+01 -0.996992D+00  0.237530D+01
      6  -0.508161D+01 -0.293988D+01  0.359245D+01  0.688695D+01 -0.593789D+01
               116           117           118           119           120 
      1  -0.770393D+01 -0.934873D+01  0.522205D+02 -0.110679D+02  0.160350D+02
      2   0.853904D+01  0.169349D+01 -0.286426D+02  0.568984D+01 -0.962850D+01
      3  -0.835109D+00  0.765523D+01 -0.235779D+02  0.537807D+01 -0.640648D+01
      4  -0.377772D+01 -0.466019D+01 -0.109154D+02  0.104775D+02 -0.368176D+01
      5  -0.194975D+01 -0.372612D+01  0.189049D+02 -0.438400D+01  0.157092D+02
      6   0.106573D+02  0.239902D+02 -0.280693D+00  0.572373D+00  0.141338D+00
               121           122           123           124           125 
      1  -0.217422D+02  0.757137D+01 -0.510806D+01  0.252608D+02 -0.382998D+01
      2   0.117313D+02 -0.180839D+01  0.311365D+01 -0.154048D+02  0.248883D+01
      3   0.100109D+02 -0.576298D+01  0.199441D+01 -0.985600D+01  0.134115D+01
      4   0.124871D+02 -0.743726D+01  0.564206D+01 -0.498578D+01  0.755942D+01
      5  -0.716334D+01  0.580536D+01 -0.815288D+01  0.190508D+02 -0.550981D+01
      6   0.140675D+01 -0.149377D+01  0.183756D+01 -0.685941D+00  0.224593D+01
               126           127           128           129           130 
      1   0.116077D+02  0.856090D+01 -0.245976D+01 -0.550833D+01 -0.580975D+01
      2  -0.106534D+02 -0.713160D+01  0.165972D+01  0.464035D+01  0.386475D+01
      3  -0.954271D+00 -0.142929D+01  0.800041D+00  0.867977D+00  0.194500D+01
      4  -0.480778D+01 -0.189958D+01  0.263831D+01  0.187601D-01  0.417065D+01
      5   0.128008D+02 -0.688647D+01  0.441476D+00  0.122107D+02  0.218718D+01
      6  -0.129409D+01  0.856520D-01 -0.113758D+00  0.836890D+00 -0.143955D+01
               131           132           133           134           135 
      1   0.252139D+00 -0.169922D+00 -0.130035D+02 -0.781973D+00  0.326892D+01
      2  -0.157522D+00 -0.127810D+01  0.116286D+02 -0.289771D+00 -0.174547D+02
      3  -0.946170D-01  0.144803D+01  0.137490D+01  0.107174D+01  0.141858D+02
      4   0.162923D+00 -0.445294D+01 -0.638976D+00 -0.755305D+01 -0.279832D+01
      5  -0.404446D+01 -0.578778D+01  0.205628D+02 -0.261949D+01 -0.408847D+02
      6   0.144150D+01  0.389066D+01  0.277869D+00  0.449142D+01 -0.187017D+01
               136           137           138           139           140 
      1   0.331456D+01  0.285836D+01  0.228653D+01  0.115600D+02 -0.636926D+00
      2   0.724608D+00  0.129341D+01 -0.105497D+01 -0.305362D+01  0.151396D+02
      3  -0.403917D+01 -0.415178D+01 -0.123156D+01 -0.850641D+01 -0.145027D+02
      4   0.535204D+01  0.994606D+01  0.570131D+00  0.154867D+02  0.403509D+02
      5   0.214588D+01  0.257144D+00  0.271820D+01  0.352767D+00  0.466220D+01
      6   0.248717D+00 -0.933375D-01  0.672362D+00  0.870346D+00  0.201312D+01
               141           142           143           144           145 
      1  -0.860327D+00  0.424616D+01 -0.779234D+00  0.817426D+00  0.132260D+02
      2   0.145607D+01 -0.185025D+01  0.124158D+01 -0.956433D+00  0.951181D+00
      3  -0.595745D+00 -0.239591D+01 -0.462350D+00  0.139008D+00 -0.141771D+02
      4   0.380632D+01  0.136154D+01  0.452184D+01  0.360195D+01 -0.261054D+02
      5   0.657615D+01  0.512538D+01  0.425217D+01 -0.577999D+00  0.905555D+01
      6   0.466116D+01  0.102087D+01  0.517949D+01  0.156234D+01 -0.921825D+01
               146           147           148           149           150 
      1  -0.246659D+01  0.312505D+01 -0.216458D+01 -0.290337D+01  0.150216D+01
      2  -0.948027D+01  0.229936D-01 -0.675344D+01  0.145002D+02 -0.477061D+01
      3   0.119469D+02 -0.314805D+01  0.891802D+01 -0.115968D+02  0.326845D+01
      4   0.239663D+02 -0.101304D+02  0.184577D+02 -0.193358D+02  0.739947D+01
      5  -0.586503D+01  0.836853D+01 -0.390285D+01  0.565042D+01 -0.448913D+01
      6   0.729526D+01 -0.892076D+01  0.562576D+01 -0.869022D+01  0.822491D+01
               151           152           153           154           155 
      1   0.435462D+01  0.253937D+01 -0.890009D+00 -0.837140D+01 -0.137818D+02
      2  -0.506642D+00 -0.727821D+01  0.923148D+00  0.103727D+02  0.176457D+02
      3  -0.384797D+01  0.473883D+01 -0.331394D-01 -0.200126D+01 -0.386397D+01
      4  -0.122621D+02  0.114800D+02 -0.964902D+01  0.151836D+02  0.805042D+01
      5   0.851220D+01 -0.667073D+01  0.701920D+01 -0.104010D+01 -0.136195D+01
      6  -0.779104D+01  0.103826D+02 -0.754567D+01 -0.713618D+01 -0.508875D+01
               156           157           158           159           160 
      1   0.464914D+01 -0.858193D+01 -0.105267D+02  0.342071D+01  0.464710D+01
      2  -0.347271D+01  0.108289D+02  0.155927D+02 -0.429172D+01 -0.270296D+01
      3  -0.117642D+01 -0.224698D+01 -0.506597D+01  0.871008D+00 -0.194414D+01
      4  -0.482247D+01  0.978488D+01  0.543436D+01 -0.162089D+01 -0.571366D+01
      5   0.171178D+01 -0.506479D+00 -0.271134D+00 -0.215220D+00  0.273470D+01
      6   0.640463D+01 -0.364540D+01 -0.510944D+01  0.592747D+01  0.437341D+01
               161           162           163           164           165 
      1   0.540595D+01 -0.534904D+01 -0.506756D+00 -0.161217D+01 -0.139560D+01
      2  -0.666188D+01  0.314654D+01  0.949603D+00  0.149031D+00  0.101259D+01
      3   0.125593D+01  0.220250D+01 -0.442847D+00  0.146314D+01  0.383004D+00
      4  -0.637675D+00  0.147332D+01 -0.256567D+01  0.549047D+01  0.219264D+01
      5  -0.694591D+00 -0.180395D+01 -0.207462D+01  0.957315D+00  0.502134D+01
      6   0.721637D+01 -0.337572D+01  0.179732D+01 -0.603653D+00 -0.218509D+01
               166           167           168           169           170 
      1  -0.589199D+00 -0.463533D+01 -0.422332D+01 -0.231904D+01 -0.888879D+01
      2  -0.433671D+00  0.533166D+01  0.487136D+01  0.138839D+01  0.982250D+01
      3   0.102287D+01 -0.696329D+00 -0.648043D+00  0.930654D+00 -0.933705D+00
      4   0.419807D+01 -0.281930D+01 -0.246902D+01  0.515995D+01 -0.681540D+01
      5  -0.477896D-01 -0.252711D+01 -0.261743D+01  0.596661D+01 -0.625580D+01
      6  -0.630028D+00  0.601110D+01  0.104713D+02 -0.312158D+01  0.148083D+02
               171 
      1  -0.113034D+02
      2  -0.277552D+00
      3   0.115810D+02
      4  -0.721079D+01
      5  -0.159505D+02
      6   0.285667D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:08:28 2021, MaxMem=  6442450944 cpu:            8882.7 elap:            1113.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32771 -19.26992 -14.44612 -10.43498 -10.34210
 Alpha  occ. eigenvalues --  -10.30809 -10.28787 -10.28103  -1.22374  -1.13211
 Alpha  occ. eigenvalues --   -1.00925  -0.90382  -0.80888  -0.78446  -0.71788
 Alpha  occ. eigenvalues --   -0.67746  -0.59585  -0.59288  -0.57762  -0.56950
 Alpha  occ. eigenvalues --   -0.54834  -0.50991  -0.50870  -0.48191  -0.47518
 Alpha  occ. eigenvalues --   -0.46509  -0.42973  -0.42277  -0.42045  -0.41071
 Alpha  occ. eigenvalues --   -0.38882  -0.33180
 Alpha virt. eigenvalues --    0.03224   0.04438   0.04511   0.05071   0.06278
 Alpha virt. eigenvalues --    0.06608   0.07042   0.07163   0.07800   0.08230
 Alpha virt. eigenvalues --    0.09440   0.09912   0.11045   0.12231   0.12734
 Alpha virt. eigenvalues --    0.13476   0.14289   0.14649   0.15125   0.15298
 Alpha virt. eigenvalues --    0.15686   0.16518   0.17796   0.17964   0.18221
 Alpha virt. eigenvalues --    0.18906   0.19590   0.19997   0.20456   0.20907
 Alpha virt. eigenvalues --    0.21038   0.21951   0.22620   0.23424   0.24201
 Alpha virt. eigenvalues --    0.25020   0.25353   0.26622   0.27451   0.27947
 Alpha virt. eigenvalues --    0.28370   0.29740   0.30141   0.30302   0.30458
 Alpha virt. eigenvalues --    0.31091   0.32051   0.32566   0.33724   0.34018
 Alpha virt. eigenvalues --    0.35099   0.35903   0.37098   0.37687   0.38937
 Alpha virt. eigenvalues --    0.39715   0.40534   0.41284   0.42271   0.42863
 Alpha virt. eigenvalues --    0.42889   0.43737   0.43944   0.44702   0.45604
 Alpha virt. eigenvalues --    0.46108   0.46658   0.47049   0.47964   0.48175
 Alpha virt. eigenvalues --    0.49069   0.50990   0.51488   0.52042   0.53438
 Alpha virt. eigenvalues --    0.53769   0.54551   0.54738   0.55333   0.56028
 Alpha virt. eigenvalues --    0.57896   0.58566   0.59074   0.59421   0.60269
 Alpha virt. eigenvalues --    0.60664   0.60912   0.62321   0.62544   0.63790
 Alpha virt. eigenvalues --    0.64979   0.65883   0.67859   0.68508   0.68709
 Alpha virt. eigenvalues --    0.69359   0.70496   0.71427   0.71875   0.73698
 Alpha virt. eigenvalues --    0.74023   0.75485   0.76193   0.76789   0.77029
 Alpha virt. eigenvalues --    0.77649   0.79776   0.80828   0.82124   0.82796
 Alpha virt. eigenvalues --    0.83215   0.84033   0.85201   0.85793   0.87865
 Alpha virt. eigenvalues --    0.88606   0.88956   0.90442   0.91656   0.92232
 Alpha virt. eigenvalues --    0.93540   0.94192   0.94887   0.96182   0.97087
 Alpha virt. eigenvalues --    1.01659   1.02138   1.03860   1.05757   1.06312
 Alpha virt. eigenvalues --    1.06739   1.08587   1.09165   1.11046   1.12810
 Alpha virt. eigenvalues --    1.14157   1.15399   1.17436   1.19524   1.21338
 Alpha virt. eigenvalues --    1.22799   1.23164   1.23444   1.25532   1.26449
 Alpha virt. eigenvalues --    1.29849   1.31789   1.33221   1.34057   1.36313
 Alpha virt. eigenvalues --    1.39355   1.41622   1.43972   1.45416   1.46688
 Alpha virt. eigenvalues --    1.50838   1.52857   1.56039   1.56839   1.59598
 Alpha virt. eigenvalues --    1.62187   1.63802   1.64957   1.66980   1.68575
 Alpha virt. eigenvalues --    1.69811   1.72168   1.73932   1.75554   1.77452
 Alpha virt. eigenvalues --    1.78512   1.78663   1.79879   1.83147   1.84474
 Alpha virt. eigenvalues --    1.86306   1.87831   1.89848   1.90207   1.92084
 Alpha virt. eigenvalues --    1.92322   1.95823   1.97884   1.98797   1.99604
 Alpha virt. eigenvalues --    2.00647   2.01865   2.03777   2.07364   2.08024
 Alpha virt. eigenvalues --    2.10070   2.11608   2.13025   2.14867   2.16059
 Alpha virt. eigenvalues --    2.17685   2.19569   2.21779   2.23301   2.24084
 Alpha virt. eigenvalues --    2.26610   2.27192   2.28961   2.31352   2.31964
 Alpha virt. eigenvalues --    2.34252   2.36403   2.37365   2.38454   2.40403
 Alpha virt. eigenvalues --    2.43866   2.46765   2.49990   2.52203   2.53184
 Alpha virt. eigenvalues --    2.56720   2.57496   2.60420   2.61756   2.64504
 Alpha virt. eigenvalues --    2.65815   2.68588   2.70340   2.71688   2.74748
 Alpha virt. eigenvalues --    2.79597   2.80262   2.80719   2.85858   2.86573
 Alpha virt. eigenvalues --    2.93122   2.98616   3.00019   3.06312   3.12296
 Alpha virt. eigenvalues --    3.18178   3.22890   3.29101   3.39243   3.45461
 Alpha virt. eigenvalues --    3.46317   3.48465   3.49710   3.52140   3.53692
 Alpha virt. eigenvalues --    3.59619   3.63854   3.74692   3.86961   3.96273
 Alpha virt. eigenvalues --    4.15840
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.818412  -0.010710  -0.375240   0.015862   0.048861  -0.228373
     2  C   -0.010710   8.902462  -1.815358   0.222555   0.002760  -0.043974
     3  C   -0.375240  -1.815358  11.025248  -2.204205  -0.119287   0.161507
     4  C    0.015862   0.222555  -2.204205   7.119021  -0.027517  -0.152512
     5  O    0.048861   0.002760  -0.119287  -0.027517   8.267414  -0.001112
     6  C   -0.228373  -0.043974   0.161507  -0.152512  -0.001112   4.789753
     7  N    0.059995  -0.027598  -0.564806   0.216470   0.015576  -0.055424
     8  O    0.010469  -0.026480   0.157728   0.127685  -0.030140   0.004720
     9  H    0.070727   0.184220  -1.427769   0.141857   0.023493  -0.035565
    10  H    0.012766  -1.447304   0.499730  -0.053888   0.001513  -0.039469
    11  H   -0.011508  -0.010379   0.137009  -0.167699   0.330489   0.001639
    12  H    0.000297  -0.050978   0.262067  -0.101671  -0.001914   0.011201
    13  H    0.000840   0.099946  -0.277422  -0.011895   0.009283  -0.002631
    14  H    0.050019   0.084811  -0.012192  -0.012166  -0.001667   0.175558
    15  H   -0.066000  -0.156500   0.092725  -0.032323   0.001445   0.325403
    16  H   -0.055641   0.313166  -0.126331   0.035234   0.000421   0.130233
    17  H    0.080924   0.055886   0.061301  -0.031526   0.013080   0.049373
    18  H    0.285188   0.168278  -0.060427   0.027891   0.006486  -0.054912
    19  H    0.249683   0.048993  -0.220823   0.111382  -0.007592  -0.106014
               7          8          9         10         11         12
     1  C    0.059995   0.010469   0.070727   0.012766  -0.011508   0.000297
     2  C   -0.027598  -0.026480   0.184220  -1.447304  -0.010379  -0.050978
     3  C   -0.564806   0.157728  -1.427769   0.499730   0.137009   0.262067
     4  C    0.216470   0.127685   0.141857  -0.053888  -0.167699  -0.101671
     5  O    0.015576  -0.030140   0.023493   0.001513   0.330489  -0.001914
     6  C   -0.055424   0.004720  -0.035565  -0.039469   0.001639   0.011201
     7  N    6.809877  -0.015116   0.183535   0.000782  -0.012267   0.166912
     8  O   -0.015116   8.347635  -0.004893  -0.002540  -0.019906   0.002288
     9  H    0.183535  -0.004893   2.338921   0.062289   0.003411  -0.088627
    10  H    0.000782  -0.002540   0.062289   2.653183   0.001912   0.010257
    11  H   -0.012267  -0.019906   0.003411   0.001912   0.581788  -0.000042
    12  H    0.166912   0.002288  -0.088627   0.010257  -0.000042   0.958852
    13  H    0.405015  -0.003376   0.058007  -0.025640  -0.005637  -0.124711
    14  H    0.032540   0.000668   0.007374  -0.115267  -0.000421   0.001286
    15  H   -0.003814   0.001510  -0.023339   0.099363   0.000058   0.000064
    16  H   -0.045194  -0.001945  -0.004641  -0.052274   0.000950   0.002808
    17  H   -0.009828  -0.003160   0.007547  -0.041617  -0.000316   0.000144
    18  H    0.014361   0.026547   0.000378  -0.078168  -0.004346  -0.002159
    19  H    0.012495  -0.010734   0.026839   0.088846   0.000770   0.000935
              13         14         15         16         17         18
     1  C    0.000840   0.050019  -0.066000  -0.055641   0.080924   0.285188
     2  C    0.099946   0.084811  -0.156500   0.313166   0.055886   0.168278
     3  C   -0.277422  -0.012192   0.092725  -0.126331   0.061301  -0.060427
     4  C   -0.011895  -0.012166  -0.032323   0.035234  -0.031526   0.027891
     5  O    0.009283  -0.001667   0.001445   0.000421   0.013080   0.006486
     6  C   -0.002631   0.175558   0.325403   0.130233   0.049373  -0.054912
     7  N    0.405015   0.032540  -0.003814  -0.045194  -0.009828   0.014361
     8  O   -0.003376   0.000668   0.001510  -0.001945  -0.003160   0.026547
     9  H    0.058007   0.007374  -0.023339  -0.004641   0.007547   0.000378
    10  H   -0.025640  -0.115267   0.099363  -0.052274  -0.041617  -0.078168
    11  H   -0.005637  -0.000421   0.000058   0.000950  -0.000316  -0.004346
    12  H   -0.124711   0.001286   0.000064   0.002808   0.000144  -0.002159
    13  H    0.881469   0.000311  -0.000369  -0.007270  -0.000791   0.004624
    14  H    0.000311   1.686237  -0.318980  -0.397102  -0.001797   0.015188
    15  H   -0.000369  -0.318980   1.547747  -0.324887  -0.023620   0.000554
    16  H   -0.007270  -0.397102  -0.324887   1.695195   0.018018  -0.014139
    17  H   -0.000791  -0.001797  -0.023620   0.018018   1.703529  -0.369618
    18  H    0.004624   0.015188   0.000554  -0.014139  -0.369618   1.475641
    19  H   -0.001731  -0.028602   0.001591   0.005285  -0.309840  -0.273924
              19
     1  C    0.249683
     2  C    0.048993
     3  C   -0.220823
     4  C    0.111382
     5  O   -0.007592
     6  C   -0.106014
     7  N    0.012495
     8  O   -0.010734
     9  H    0.026839
    10  H    0.088846
    11  H    0.000770
    12  H    0.000935
    13  H   -0.001731
    14  H   -0.028602
    15  H    0.001591
    16  H    0.005285
    17  H   -0.309840
    18  H   -0.273924
    19  H    1.548392
 Mulliken charges:
               1
     1  C    1.043428
     2  C   -0.493794
     3  C    0.806547
     4  C    0.777447
     5  O   -0.531591
     6  C    1.070599
     7  N   -0.183509
     8  O   -0.560960
     9  H   -0.523766
    10  H   -0.574473
    11  H    0.174494
    12  H   -0.047007
    13  H    0.001979
    14  H   -0.165797
    15  H   -0.120628
    16  H   -0.171886
    17  H   -0.197690
    18  H   -0.167444
    19  H   -0.135949
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.542346
     2  C   -1.068268
     3  C    0.282781
     4  C    0.777447
     5  O   -0.357097
     6  C    0.612289
     7  N   -0.228537
     8  O   -0.560960
 Electronic spatial extent (au):  <R**2>=           1056.3221
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0075    Y=              0.3864    Z=              1.5973  Tot=              1.6434
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.9454   YY=            -49.7811   ZZ=            -50.4502
   XY=             -4.1268   XZ=             -5.0070   YZ=             -2.0555
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1135   YY=              0.2778   ZZ=             -0.3913
   XY=             -4.1268   XZ=             -5.0070   YZ=             -2.0555
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.9168  YYY=              3.6526  ZZZ=              2.9678  XYY=            -12.8733
  XXY=             -0.8632  XXZ=             18.6451  XZZ=             -1.7498  YZZ=              3.6835
  YYZ=              2.9547  XYZ=              6.5709
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -755.7681 YYYY=           -409.6549 ZZZZ=           -178.6382 XXXY=              0.3363
 XXXZ=            -45.3279 YYYX=            -18.5980 YYYZ=             -0.4983 ZZZX=            -12.6070
 ZZZY=             -0.2951 XXYY=           -199.3941 XXZZ=           -157.4847 YYZZ=            -92.0865
 XXYZ=            -16.6968 YYXZ=              0.3620 ZZXY=             -1.2228
 N-N= 4.073083891325D+02 E-N=-1.753851841023D+03  KE= 3.998110770035D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:08:28 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1843   -0.1833        1.5604    1.5601
 2      0.1843    0.1833       -0.6475   -0.6478       -4.1284   -4.1287
 3     -1.5604   -1.5601        7.2037    7.2008        0.6478    0.6478
 4      0.6475    0.6478        0.0000    0.0000       -1.5595   -1.5601
 5     -3.0753   -3.0721        1.5595    1.5601       -0.1848   -0.1833
 6     -0.6478   -0.6478        0.1848    0.1833        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5500    0.5500        4.6803    4.6803
 2      1.9435    1.9435       -0.0000    0.0000        4.6803    4.6803
 3      1.9435    1.9435        0.5500    0.5500        0.0000    0.0000
 4      0.5500    0.5500       -1.9435   -1.9435      -12.3861  -12.3861
 5     -4.6803   -4.6803       21.6025   21.6025        1.9435    1.9435
 6     -9.2163   -9.2163        4.6803    4.6803       -0.5500   -0.5500
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2218    0.0000        0.4642    0.7334       -6.7017   -6.2404
 2     -0.6863   -0.7334        2.5017    2.5914       17.0849   16.5149
 3      6.1572    6.2404      -28.7025  -28.8033       -2.8486   -2.5914
 4     -2.6521   -2.5914       -0.0400    0.0000        6.0932    6.2404
 5     12.1340   12.2884       -5.9757   -6.2404        0.8221    0.7334
 6      2.5944    2.5914       -0.8984   -0.7334       -0.0652    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0373    0.0000        8.7753    8.9882        2.6901    2.6976
 2     -9.0097   -8.9882      -16.9098  -16.9549        5.1404    5.3619
 3     -2.7903   -2.6976        7.2966    7.2962       15.2448   16.9549
 4     16.9311   16.9549       -0.0287    0.0000       -2.6244   -2.6976
 5    -12.6938  -12.6581        2.3258    2.6976        9.6717    8.9882
 6    -16.9654  -16.9549       -9.1334   -8.9882       -0.0444    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.8441   15.8593       10.2130   10.0554        2.2773    2.0982
 2     42.7064   42.5342       20.3751   20.3541        2.3565    2.0982
 3     42.5503   42.5342       10.3371   10.0554        2.3888    2.1790
 4    -10.0271  -10.2987      -27.0298  -26.6750        8.3586    8.6450
 5     -0.1853    0.0808       14.2738   13.8603       24.9364   26.6750
 6    -22.4770  -22.5053       -0.3221   -0.0808       10.5292   10.2987
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.1805                 0.1137                 0.4252
  Dep-P Fr= 1--      0.7259                 0.7492                 0.5723
  Dep-U Fr= 1--      0.8412                 0.8566                 0.7280
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0014
 Beta2  Fr= 1--      0.1655                 0.0162                 0.0516
 AlphaG Fr= 1--      0.0010                 0.0000                -0.0018
 Gamma2 Fr= 1--      0.0354                 0.0154                -0.0985
 Delta2 Fr= 1--      0.0373                 0.0229                -0.0143
 Raman1 Fr= 1--       4.722                  0.455                  1.701
 ROA1   Fr= 1--       4.595                  2.211                 -9.913
 CID1   Fr= 1--       0.973                  4.863                 -5.828
 Raman2 Fr= 1--       1.986                  0.195                  0.619
 ROA2   Fr= 1--       0.552                  0.186                 -2.250
 CID2   Fr= 1--       0.278                  0.954                 -3.634
 Raman3 Fr= 1--       3.972                  0.389                  1.238
 ROA3   Fr= 1--       4.595                  2.211                 -9.913
 CID3   Fr= 1--       1.157                  5.676                 -8.005
 RC180  Fr= 1--       0.682                  0.713                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1445                 0.0899                 0.3055
  Dep-P Fr= 1--      0.7389                 0.7457                 0.6765
  Dep-U Fr= 1--      0.8499                 0.8543                 0.8070
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0205                 0.0128                 0.0411
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0004
 Gamma2 Fr= 1--     -0.0300                 0.0562                 0.0504
 Delta2 Fr= 1--      0.0011                 0.0316                -0.0758
 Raman1 Fr= 1--       0.578                  0.360                  1.222
 ROA1   Fr= 1--      -2.845                  6.406                  2.416
 CID1   Fr= 1--      -4.923                 17.815                  1.977
 Raman2 Fr= 1--       0.246                  0.154                  0.493
 ROA2   Fr= 1--      -0.729                  1.096                  1.817
 CID2   Fr= 1--      -2.968                  7.135                  3.685
 Raman3 Fr= 1--       0.491                  0.307                  0.986
 ROA3   Fr= 1--      -2.845                  6.406                  2.416
 CID3   Fr= 1--      -5.793                 20.853                  2.450
 RC180  Fr= 1--       0.700                  0.709                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.3172                 0.3951                 1.2807
  Dep-P Fr= 1--      0.4369                 0.5037                 0.1327
  Dep-U Fr= 1--      0.6081                 0.6699                 0.2343
 Alpha2 Fr= 1--      0.0020                 0.0019                 0.0207
 Beta2  Fr= 1--      0.0321                 0.0441                 0.0500
 AlphaG Fr= 1--      0.0068                -0.0093                 0.0073
 Gamma2 Fr= 1--     -0.0343                 0.3197                -0.1573
 Delta2 Fr= 1--     -0.0448                 0.1372                 0.0780
 Raman1 Fr= 1--       1.269                  1.581                  5.123
 ROA1   Fr= 1--      -4.728                 35.082                -12.610
 CID1   Fr= 1--      -3.727                 22.196                 -2.462
 Raman2 Fr= 1--       0.386                  0.529                  0.600
 ROA2   Fr= 1--      -0.466                  6.575                 -4.400
 CID2   Fr= 1--      -1.208                 12.418                 -7.331
 Raman3 Fr= 1--       0.772                  1.059                  1.200
 ROA3   Fr= 1--      -4.728                 35.082                -12.610
 CID3   Fr= 1--      -6.128                 33.131                -10.506
 RC180  Fr= 1--       0.216                  0.340                 -0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.3139                 0.8835                 5.0729
  Dep-P Fr= 1--      0.6266                 0.3850                 0.1098
  Dep-U Fr= 1--      0.7704                 0.5560                 0.1979
 Alpha2 Fr= 1--      0.0030                 0.0069                 0.0867
 Beta2  Fr= 1--      0.1687                 0.0819                 0.1673
 AlphaG Fr= 1--     -0.0026                 0.0050                 0.0042
 Gamma2 Fr= 1--     -0.2650                -0.2574                 0.2403
 Delta2 Fr= 1--      0.1241                 0.0136                 0.0731
 Raman1 Fr= 1--       5.256                  3.534                 20.292
 ROA1   Fr= 1--     -21.473                -24.270                 25.407
 CID1   Fr= 1--      -4.086                 -6.868                  1.252
 Raman2 Fr= 1--       2.025                  0.982                  2.008
 ROA2   Fr= 1--      -7.354                 -6.286                  5.182
 CID2   Fr= 1--      -3.632                 -6.398                  2.581
 Raman3 Fr= 1--       4.049                  1.965                  4.016
 ROA3   Fr= 1--     -21.473                -24.270                 25.407
 CID3   Fr= 1--      -5.303                -12.353                  6.326
 RC180  Fr= 1--       0.541                  0.112                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      1.0163                 4.2576                 1.7573
  Dep-P Fr= 1--      0.6220                 0.0419                 0.2685
  Dep-U Fr= 1--      0.7669                 0.0804                 0.4233
 Alpha2 Fr= 1--      0.0024                 0.0857                 0.0198
 Beta2  Fr= 1--      0.1299                 0.0570                 0.1240
 AlphaG Fr= 1--     -0.0120                 0.0140                 0.0109
 Gamma2 Fr= 1--     -0.0305                -0.0589                 0.0189
 Delta2 Fr= 1--      0.0408                -0.0674                -0.4451
 Raman1 Fr= 1--       4.065                 17.030                  7.029
 ROA1   Fr= 1--      -1.627                 -7.814                -12.426
 CID1   Fr= 1--      -0.400                 -0.459                 -1.768
 Raman2 Fr= 1--       1.559                  0.684                  1.488
 ROA2   Fr= 1--      -1.059                 -0.875                  4.016
 CID2   Fr= 1--      -0.679                 -1.279                  2.699
 Raman3 Fr= 1--       3.118                  1.369                  2.976
 ROA3   Fr= 1--      -1.627                 -7.814                -12.426
 CID3   Fr= 1--      -0.522                 -5.709                 -4.176
 RC180  Fr= 1--       0.534                 -0.839                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.5885                 6.6108                 1.7753
  Dep-P Fr= 1--      0.0238                 0.0992                 0.6149
  Dep-U Fr= 1--      0.0466                 0.1805                 0.7616
 Alpha2 Fr= 1--      0.0964                 0.1160                 0.0044
 Beta2  Fr= 1--      0.0356                 0.1988                 0.2253
 AlphaG Fr= 1--      0.0275                -0.0263                 0.0191
 Gamma2 Fr= 1--      0.2651                 0.5081                -0.3236
 Delta2 Fr= 1--     -0.0549                 0.7511                -0.8110
 Raman1 Fr= 1--      18.354                 26.443                  7.101
 ROA1   Fr= 1--      23.691                 72.816                -57.019
 CID1   Fr= 1--       1.291                  2.754                 -8.029
 Raman2 Fr= 1--       0.427                  2.386                  2.704
 ROA2   Fr= 1--       6.802                  6.187                 -1.278
 CID2   Fr= 1--      15.912                  2.593                 -0.473
 Raman3 Fr= 1--       0.855                  4.772                  5.408
 ROA3   Fr= 1--      23.691                 72.816                -57.019
 CID3   Fr= 1--      27.711                 15.258                -10.543
 RC180  Fr= 1--      -0.907                 -0.639                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      1.8636                 3.7916                 2.1137
  Dep-P Fr= 1--      0.4901                 0.6551                 0.5812
  Dep-U Fr= 1--      0.6578                 0.7916                 0.7351
 Alpha2 Fr= 1--      0.0096                 0.0064                 0.0067
 Beta2  Fr= 1--      0.2043                 0.5002                 0.2590
 AlphaG Fr= 1--     -0.0243                -0.0113                -0.0138
 Gamma2 Fr= 1--      1.0164                 0.5019                -0.2427
 Delta2 Fr= 1--      0.8983                -0.0539                -0.1257
 Raman1 Fr= 1--       7.454                 15.166                  8.455
 ROA1   Fr= 1--     126.317                 46.458                -27.327
 CID1   Fr= 1--      16.946                  3.063                 -3.232
 Raman2 Fr= 1--       2.452                  6.003                  3.108
 ROA2   Fr= 1--      17.207                 12.477                 -4.820
 CID2   Fr= 1--       7.018                  2.079                 -1.551
 Raman3 Fr= 1--       4.904                 12.006                  6.215
 ROA3   Fr= 1--     126.317                 46.458                -27.327
 CID3   Fr= 1--      25.760                  3.870                 -4.397
 RC180  Fr= 1--       0.316                  0.583                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      3.4312                 2.5786                 3.8384
  Dep-P Fr= 1--      0.2141                 0.2876                 0.7410
  Dep-U Fr= 1--      0.3526                 0.4467                 0.8512
 Alpha2 Fr= 1--      0.0449                 0.0274                 0.0006
 Beta2  Fr= 1--      0.2017                 0.1920                 0.5446
 AlphaG Fr= 1--     -0.0136                -0.0147                -0.0035
 Gamma2 Fr= 1--     -0.6779                -0.6977                 0.3930
 Delta2 Fr= 1--     -0.3844                -1.1471                 1.2632
 Raman1 Fr= 1--      13.725                 10.315                 15.354
 ROA1   Fr= 1--     -77.376               -103.685                 78.155
 CID1   Fr= 1--      -5.638                -10.052                  5.090
 Raman2 Fr= 1--       2.420                  2.304                  6.535
 ROA2   Fr= 1--     -13.193                 -7.567                 -0.673
 CID2   Fr= 1--      -5.452                 -3.285                 -0.103
 Raman3 Fr= 1--       4.840                  4.607                 13.070
 ROA3   Fr= 1--     -77.376               -103.685                 78.155
 CID3   Fr= 1--     -15.987                -22.505                  5.980
 RC180  Fr= 1--      -0.295                 -0.107                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      5.7571                 1.9087                 2.5047
  Dep-P Fr= 1--      0.7478                 0.6571                 0.2295
  Dep-U Fr= 1--      0.8557                 0.7931                 0.3734
 Alpha2 Fr= 1--      0.0002                 0.0032                 0.0314
 Beta2  Fr= 1--      0.8210                 0.2523                 0.1559
 AlphaG Fr= 1--     -0.0021                -0.0019                 0.0297
 Gamma2 Fr= 1--      1.0489                 0.3986                 0.4986
 Delta2 Fr= 1--      0.1216                 0.2766                 0.1252
 Raman1 Fr= 1--      23.028                  7.635                 10.019
 ROA1   Fr= 1--     104.584                 47.115                 51.869
 CID1   Fr= 1--       4.542                  6.171                  5.177
 Raman2 Fr= 1--       9.852                  3.028                  1.870
 ROA2   Fr= 1--      24.200                  7.352                 10.965
 CID2   Fr= 1--       2.456                  2.429                  5.862
 Raman3 Fr= 1--      19.705                  6.055                  3.741
 ROA3   Fr= 1--     104.584                 47.115                 51.869
 CID3   Fr= 1--       5.307                  7.781                 13.866
 RC180  Fr= 1--       0.711                  0.586                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      0.9397                 2.9673                 4.1263
  Dep-P Fr= 1--      0.6948                 0.7100                 0.7442
  Dep-U Fr= 1--      0.8199                 0.8304                 0.8533
 Alpha2 Fr= 1--      0.0009                 0.0021                 0.0004
 Beta2  Fr= 1--      0.1284                 0.4107                 0.5869
 AlphaG Fr= 1--     -0.0045                -0.0047                 0.0059
 Gamma2 Fr= 1--     -0.5257                 0.0475                -0.6202
 Delta2 Fr= 1--     -0.2747                -0.3727                 0.0910
 Raman1 Fr= 1--       3.759                 11.869                 16.505
 ROA1   Fr= 1--     -59.255                 -7.372                -56.625
 CID1   Fr= 1--     -15.764                 -0.621                 -3.431
 Raman2 Fr= 1--       1.541                  4.928                  7.042
 ROA2   Fr= 1--     -10.419                  4.121                -15.613
 CID2   Fr= 1--      -6.761                  0.836                 -2.217
 Raman3 Fr= 1--       3.082                  9.856                 14.085
 ROA3   Fr= 1--     -59.255                 -7.372                -56.625
 CID3   Fr= 1--     -19.225                 -0.748                 -4.020
 RC180  Fr= 1--       0.640                  0.661                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      5.6586                 3.5668                 1.3396
  Dep-P Fr= 1--      0.7414                 0.7003                 0.7363
  Dep-U Fr= 1--      0.8515                 0.8238                 0.8481
 Alpha2 Fr= 1--      0.0008                 0.0031                 0.0003
 Beta2  Fr= 1--      0.8031                 0.4897                 0.1894
 AlphaG Fr= 1--     -0.0031                -0.0087                 0.0026
 Gamma2 Fr= 1--      0.2488                -0.0589                -0.1505
 Delta2 Fr= 1--     -0.2465                 0.3888                -0.0371
 Raman1 Fr= 1--      22.634                 14.267                  5.358
 ROA1   Fr= 1--      15.995                  6.790                -15.633
 CID1   Fr= 1--       0.707                  0.476                 -2.917
 Raman2 Fr= 1--       9.637                  5.876                  2.272
 ROA2   Fr= 1--       7.942                 -4.524                 -3.314
 CID2   Fr= 1--       0.824                 -0.770                 -1.459
 Raman3 Fr= 1--      19.274                 11.753                  4.545
 ROA3   Fr= 1--      15.995                  6.790                -15.633
 CID3   Fr= 1--       0.830                  0.578                 -3.440
 RC180  Fr= 1--       0.703                  0.648                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.2903                 1.2868                 6.2339
  Dep-P Fr= 1--      0.6702                 0.7491                 0.7486
  Dep-U Fr= 1--      0.8026                 0.8566                 0.8562
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0388                 0.1837                 0.8896
 AlphaG Fr= 1--     -0.0005                -0.0010                 0.0010
 Gamma2 Fr= 1--      0.0442                -0.1631                -0.2852
 Delta2 Fr= 1--      0.0897                -0.1124                 0.6110
 Raman1 Fr= 1--       1.161                  5.147                 24.936
 ROA1   Fr= 1--       7.117                -19.252                 -7.825
 CID1   Fr= 1--       6.130                 -3.740                 -0.314
 Raman2 Fr= 1--       0.466                  2.204                 10.675
 ROA2   Fr= 1--       0.344                 -3.015                -11.732
 CID2   Fr= 1--       0.739                 -1.368                 -1.099
 Raman3 Fr= 1--       0.932                  4.409                 21.351
 ROA3   Fr= 1--       7.117                -19.252                 -7.825
 CID3   Fr= 1--       7.638                 -4.367                 -0.366
 RC180  Fr= 1--       0.605                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      5.8674                 0.3119                 2.2083
  Dep-P Fr= 1--      0.7498                 0.7147                 0.6122
  Dep-U Fr= 1--      0.8570                 0.8336                 0.7594
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0056
 Beta2  Fr= 1--      0.8381                 0.0433                 0.2795
 AlphaG Fr= 1--     -0.0002                -0.0004                -0.0075
 Gamma2 Fr= 1--     -0.2311                 0.4021                -0.1874
 Delta2 Fr= 1--     -0.1269                 0.1690                 0.0173
 Raman1 Fr= 1--      23.470                  1.247                  8.833
 ROA1   Fr= 1--     -26.247                 44.012                -17.438
 CID1   Fr= 1--      -1.118                 35.281                 -1.974
 Raman2 Fr= 1--      10.057                  0.520                  3.354
 ROA2   Fr= 1--      -4.531                  8.298                 -4.636
 CID2   Fr= 1--      -0.451                 15.961                 -1.382
 Raman3 Fr= 1--      20.113                  1.040                  6.708
 ROA3   Fr= 1--     -26.247                 44.012                -17.438
 CID3   Fr= 1--      -1.305                 42.324                 -2.599
 RC180  Fr= 1--       0.714                  0.667                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     18.8672               157.4083                13.9283
  Dep-P Fr= 1--      0.1982                 0.1842                 0.0960
  Dep-U Fr= 1--      0.3309                 0.3111                 0.1752
 Alpha2 Fr= 1--      0.2574                 2.2285                 0.2463
 Beta2  Fr= 1--      1.0404                 8.1605                 0.4067
 AlphaG Fr= 1--     -0.2250                 0.1033                 0.0391
 Gamma2 Fr= 1--     -0.2210                -0.7133                 0.2126
 Delta2 Fr= 1--      0.6933                -1.5706                -0.4478
 Raman1 Fr= 1--      75.469                629.633                 55.713
 ROA1   Fr= 1--       0.969               -118.739                  6.080
 CID1   Fr= 1--       0.013                 -0.189                  0.109
 Raman2 Fr= 1--      12.485                 97.927                  4.880
 ROA2   Fr= 1--     -10.850                 -4.555                  8.684
 CID2   Fr= 1--      -0.869                 -0.047                  1.780
 Raman3 Fr= 1--      24.970                195.853                  9.760
 ROA3   Fr= 1--       0.969               -118.739                  6.080
 CID3   Fr= 1--       0.039                 -0.606                  0.623
 RC180  Fr= 1--      -0.338                 -0.378                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    236.8401                60.5819                32.7037
  Dep-P Fr= 1--      0.0062                 0.0657                 0.6190
  Dep-U Fr= 1--      0.0124                 0.1233                 0.7647
 Alpha2 Fr= 1--      5.1868                 1.1526                 0.0784
 Beta2  Fr= 1--      0.4903                 1.2451                 4.1679
 AlphaG Fr= 1--     -0.2615                 0.2877                 0.0600
 Gamma2 Fr= 1--     -0.3038                 4.4256                16.6120
 Delta2 Fr= 1--     -0.3259                 3.7909                10.6579
 Raman1 Fr= 1--     947.360                242.328                130.815
 ROA1   Fr= 1--     -39.589                546.170               1935.804
 CID1   Fr= 1--      -0.042                  2.254                 14.798
 Raman2 Fr= 1--       5.883                 14.941                 50.015
 ROA2   Fr= 1--      -4.683                 75.888                313.424
 CID2   Fr= 1--      -0.796                  5.079                  6.267
 Raman3 Fr= 1--      11.767                 29.883                100.030
 ROA3   Fr= 1--     -39.589                546.170               1935.804
 CID3   Fr= 1--      -3.364                 18.277                 19.352
 RC180  Fr= 1--      -0.975                 -0.753                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     82.1218                68.0334                54.2952
  Dep-P Fr= 1--      0.5498                 0.7076                 0.6184
  Dep-U Fr= 1--      0.7095                 0.8288                 0.7642
 Alpha2 Fr= 1--      0.3143                 0.0500                 0.1308
 Beta2  Fr= 1--      9.7111                 9.3975                 6.9158
 AlphaG Fr= 1--      0.2276                -0.0515                -0.0405
 Gamma2 Fr= 1--    -20.4312                 5.1679                -2.3395
 Delta2 Fr= 1--    -13.9792                 4.3404                -1.0563
 Raman1 Fr= 1--     328.487                272.134                217.181
 ROA1   Fr= 1--   -2408.733                635.010               -258.397
 CID1   Fr= 1--      -7.333                  2.333                 -1.190
 Raman2 Fr= 1--     116.533                112.770                 82.989
 ROA2   Fr= 1--    -378.515                 89.307                -47.699
 CID2   Fr= 1--      -3.248                  0.792                 -0.575
 Raman3 Fr= 1--     233.066                225.541                165.978
 ROA3   Fr= 1--   -2408.733                635.010               -258.397
 CID3   Fr= 1--     -10.335                  2.815                 -1.557
 RC180  Fr= 1--       0.419                  0.658                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    115.6941                51.3460               118.6151
  Dep-P Fr= 1--      0.0871                 0.6637                 0.2295
  Dep-U Fr= 1--      0.1603                 0.7979                 0.3733
 Alpha2 Fr= 1--      2.0901                 0.0789                 1.4879
 Beta2  Fr= 1--      3.0915                 6.8278                 7.3801
 AlphaG Fr= 1--      0.5670                 0.0889                 0.1153
 Gamma2 Fr= 1--      1.6224                 0.2502                -1.2523
 Delta2 Fr= 1--      0.4991                -0.1325                 0.7111
 Raman1 Fr= 1--     462.776                205.384                474.460
 ROA1   Fr= 1--     171.720                 19.778                -97.464
 CID1   Fr= 1--       0.371                  0.096                 -0.205
 Raman2 Fr= 1--      37.098                 81.934                 88.561
 ROA2   Fr= 1--      34.945                  7.064                -35.744
 CID2   Fr= 1--       0.942                  0.086                 -0.404
 Raman3 Fr= 1--      74.196                163.868                177.122
 ROA3   Fr= 1--     171.720                 19.778                -97.464
 CID3   Fr= 1--       2.314                  0.121                 -0.550
 RC180  Fr= 1--      -0.679                  0.596                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
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                                                                       X                                                             
                                                                       X                                                             
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880366D+02  0.312019D+01  0.366680D+00
      2   0.312019D+01  0.797792D+02  0.129569D+01
      3   0.366680D+00  0.129569D+01  0.736350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.435418D+00 -0.477725D+01  0.227063D+01
      2   0.207967D+01 -0.311637D+01  0.214656D+02
      3   0.671761D+01 -0.384205D+02  0.321270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.776425D+02 -0.193927D+02  0.559515D+01
      2  -0.308916D+02  0.184314D+02  0.341616D+01
      3  -0.467509D+02  0.961359D+00 -0.901131D+01
      4  -0.226851D+02  0.689677D+02 -0.813336D+01
      5  -0.233147D-02 -0.900257D+01  0.264334D+02
      6  -0.294163D+01 -0.210051D+01 -0.126297D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103252D+01  0.487951D+01 -0.329932D+01  0.425408D+01 -0.670541D+00
      2   0.487951D+01 -0.943176D+00  0.424616D+00 -0.670541D+00 -0.348197D+01
      3  -0.329932D+01  0.424616D+00 -0.939238D+00  0.337629D+00 -0.122085D+01
                 6             7             8             9            10 
      1   0.337629D+00 -0.365132D+01  0.521518D+00 -0.119674D+01  0.116666D-01
      2  -0.122085D+01  0.521518D+00 -0.192379D+01  0.291161D+01 -0.436721D+01
      3   0.210929D+01 -0.119674D+01  0.291161D+01  0.527636D+01  0.201224D+01
                11            12            13            14            15 
      1  -0.436721D+01  0.201224D+01 -0.586935D+01  0.851189D+00 -0.141121D+00
      2   0.132076D+01  0.334395D-01  0.851189D+00  0.481389D+01  0.809819D+00
      3   0.334395D-01  0.134737D+01 -0.141121D+00  0.809819D+00 -0.159914D+01
                16            17            18            19            20 
      1   0.378132D+01 -0.220768D-01  0.196962D+01 -0.708897D+00  0.442184D+01
      2  -0.220768D-01  0.148422D+01 -0.197809D+01  0.442184D+01  0.123540D+00
      3   0.196962D+01 -0.197809D+01 -0.799432D+01 -0.239344D+01 -0.266381D+00
                21            22            23            24            25 
      1  -0.239344D+01  0.311262D+01 -0.154591D+01 -0.435670D+00 -0.291955D+01
      2  -0.266381D+00 -0.154591D+01 -0.462209D+01 -0.144810D+01 -0.639073D-01
      3  -0.939890D+00 -0.435670D+00 -0.144810D+01  0.129609D+01 -0.135385D+01
                26            27            28            29            30 
      1  -0.639073D-01 -0.135385D+01  0.488338D-01  0.896244D-01  0.365687D+01
      2  -0.207528D+01  0.983071D+00  0.896244D-01  0.225127D+01  0.145941D+01
      3   0.983071D+00  0.658283D+01  0.365687D+01  0.145941D+01  0.238525D+01
                31            32            33            34            35 
      1   0.117681D+01  0.119960D+01  0.161478D+01  0.497733D+01  0.202545D+01
      2   0.119960D+01  0.586245D+00  0.156652D+01  0.202545D+01  0.246777D+01
      3   0.161478D+01  0.156652D+01  0.104846D+01  0.218170D+01  0.566155D+00
                36            37            38            39            40 
      1   0.218170D+01  0.580436D+01  0.197162D+01 -0.109112D+01  0.274372D+01
      2   0.566155D+00  0.197162D+01  0.649704D+00 -0.107253D+01  0.513748D+00
      3   0.661153D-01 -0.109112D+01 -0.107253D+01  0.115815D+01 -0.131586D+01
                41            42            43            44            45 
      1   0.513748D+00 -0.131586D+01  0.341627D+00 -0.434587D+00 -0.796864D+00
      2   0.112144D+01  0.946354D+00 -0.434587D+00  0.188340D+01  0.239143D+00
      3   0.946354D+00  0.864980D+00 -0.796864D+00  0.239143D+00  0.497015D+01
                46            47            48            49            50 
      1   0.440250D+00  0.386854D+01 -0.266908D+01  0.469434D+01 -0.126069D+01
      2   0.386854D+01 -0.277226D+00  0.479006D+00 -0.126069D+01 -0.549637D+01
      3  -0.266908D+01  0.479006D+00 -0.222331D+01  0.615059D+00 -0.143829D+01
                51            52            53            54            55 
      1   0.615059D+00 -0.426984D+01  0.345320D+00 -0.327562D+01  0.254228D+01
      2  -0.143829D+01  0.345320D+00 -0.151299D+01  0.160157D+01 -0.270644D+01
      3   0.191470D+01 -0.327562D+01  0.160157D+01  0.550207D+01  0.130204D+01
                56            57            58            59            60 
      1  -0.270644D+01  0.130204D+01 -0.795954D+00  0.260360D+01 -0.451966D+00
      2   0.193274D+01 -0.692007D+00  0.260360D+01  0.481191D+01  0.119649D+01
      3  -0.692007D+00  0.248815D+01 -0.451966D+00  0.119649D+01 -0.102444D+01
                61            62            63            64            65 
      1   0.190367D+01 -0.873334D+00  0.291226D+01 -0.713690D+01 -0.265624D+01
      2  -0.873334D+00  0.125894D+01 -0.934041D+00 -0.265624D+01 -0.280858D+01
      3   0.291226D+01 -0.934041D+00 -0.341564D+01 -0.426389D+01 -0.109873D+01
                66            67            68            69            70 
      1  -0.426389D+01 -0.303539D+01 -0.227718D+01 -0.117304D+01 -0.568199D+01
      2  -0.109873D+01 -0.227718D+01 -0.306445D+01 -0.276185D+01 -0.186313D+01
      3  -0.335490D+01 -0.117304D+01 -0.276185D+01 -0.185978D+01 -0.387442D+01
                71            72            73            74            75 
      1  -0.186313D+01 -0.387442D+01  0.652403D+00 -0.530969D+00 -0.845828D+00
      2  -0.377683D+01 -0.200753D+01 -0.530969D+00  0.405488D+00  0.228697D-01
      3  -0.200753D+01 -0.688260D+01 -0.845828D+00  0.228697D-01  0.971897D+00
                76            77            78            79            80 
      1  -0.640596D+00  0.218415D+00  0.412615D-01 -0.140131D+01  0.165320D+00
      2   0.218415D+00  0.408261D+00 -0.939515D+00  0.165320D+00 -0.137811D+01
      3   0.412615D-01 -0.939515D+00 -0.410814D+00  0.448838D+00  0.218981D-01
                81            82            83            84            85 
      1   0.448838D+00 -0.664943D+00  0.860499D+00  0.893568D+00  0.979611D+00
      2   0.218981D-01  0.860499D+00 -0.378094D+00 -0.427599D-01 -0.218805D+00
      3  -0.715461D+01  0.893568D+00 -0.427599D-01 -0.524139D+00 -0.149668D-01
                86            87            88            89            90 
      1  -0.218805D+00 -0.149668D-01  0.145136D+01 -0.959811D-01 -0.389911D+00
      2  -0.160062D+00  0.109203D+01 -0.959811D-01  0.170687D+01  0.845002D+00
      3   0.109203D+01  0.997238D+00 -0.389911D+00  0.845002D+00  0.803743D+01
                91            92            93            94            95 
      1  -0.782129D+01 -0.194860D+01  0.312038D+01 -0.265768D+01 -0.157244D+01
      2  -0.194860D+01 -0.143644D+01  0.796269D+00 -0.157244D+01 -0.102829D+01
      3   0.312038D+01  0.796269D+00 -0.254485D+01  0.117637D+01  0.887950D+00
                96            97            98            99           100 
      1   0.117637D+01  0.104403D+01  0.241688D+00 -0.110086D+01 -0.232279D+01
      2   0.887950D+00  0.241688D+00  0.429327D+00 -0.342820D+00  0.277406D+01
      3  -0.108439D+01 -0.110086D+01 -0.342820D+00  0.156098D+01 -0.119116D+01
               101           102           103           104           105 
      1   0.277406D+01 -0.119116D+01  0.247397D+01 -0.243563D+01  0.999671D+00
      2  -0.346055D+01  0.124549D+01 -0.243563D+01  0.458659D+01 -0.131108D+01
      3   0.124549D+01 -0.128201D+01  0.999671D+00 -0.131108D+01  0.124133D+01
               106           107           108           109           110 
      1  -0.215168D+01  0.172104D+01 -0.143424D+01 -0.290239D+00  0.763062D+00
      2   0.172104D+01 -0.300596D+01  0.177617D+01  0.763062D+00 -0.579899D+00
      3  -0.143424D+01  0.177617D+01 -0.178893D+01  0.385256D+00 -0.543503D+00
               111           112           113           114           115 
      1   0.385256D+00  0.612594D+00 -0.260856D+00 -0.469142D+00  0.142842D+01
      2  -0.543503D+00 -0.260856D+00  0.126154D+01  0.784866D+00 -0.659554D+00
      3  -0.953614D+00 -0.469142D+00  0.784866D+00  0.941300D+00 -0.122419D+01
               116           117           118           119           120 
      1  -0.659554D+00 -0.122419D+01  0.709447D+01 -0.168474D+01  0.239715D+01
      2   0.262847D+01  0.200587D+01 -0.168474D+01  0.129035D+01 -0.560787D+00
      3   0.200587D+01  0.536567D+01  0.239715D+01 -0.560787D+00  0.190637D+01
               121           122           123           124           125 
      1  -0.354103D+01  0.164275D+01 -0.871020D+00  0.424146D+01 -0.703479D+00
      2   0.164275D+01 -0.852412D+00  0.876245D+00 -0.703479D+00  0.117334D+01
      3  -0.871020D+00  0.876245D+00 -0.111637D+01  0.241963D+01 -0.784718D+00
               126           127           128           129           130 
      1   0.241963D+01  0.132138D+01 -0.356765D+00 -0.977701D+00 -0.105802D+01
      2  -0.784718D+00 -0.356765D+00  0.245619D+00  0.246484D-01  0.531572D+00
      3   0.159132D+01 -0.977701D+00  0.246484D-01  0.117258D+01  0.280704D+00
               131           132           133           134           135 
      1   0.531572D+00  0.280704D+00 -0.271728D+01 -0.685439D-01  0.269441D+01
      2   0.693565D-01 -0.776035D+00 -0.685439D-01 -0.133621D+01 -0.373076D+00
      3  -0.776035D+00 -0.104941D+01  0.269441D+01 -0.373076D+00 -0.701495D+01
               136           137           138           139           140 
      1   0.630620D+00  0.882930D+00  0.362181D+00  0.240891D+01  0.193138D+01
      2   0.882930D+00  0.105061D+01  0.578142D-01  0.193138D+01  0.778839D+01
      3   0.362181D+00  0.578142D-01  0.333976D+00  0.617385D-01  0.666339D+00
               141           142           143           144           145 
      1   0.617385D-01  0.785950D+00  0.195744D+00  0.699580D+00  0.437207D+01
      2   0.666339D+00  0.195744D+00  0.949327D+00  0.794487D+00 -0.314221D+01
      3   0.102586D+01  0.699580D+00  0.794487D+00 -0.689837D-01  0.179309D+01
               146           147           148           149           150 
      1  -0.314221D+01  0.179309D+01 -0.231176D+01  0.232189D+01 -0.841361D+00
      2   0.354374D+01 -0.112054D+01  0.232189D+01 -0.331366D+01  0.133984D+01
      3  -0.112054D+01  0.158924D+01 -0.841361D+00  0.133984D+01 -0.118698D+01
               151           152           153           154           155 
      1   0.227188D+01 -0.132400D+01  0.149921D+01 -0.520320D+01 -0.227009D+01
      2  -0.132400D+01  0.236367D+01 -0.169407D+01 -0.227009D+01 -0.328989D+01
      3   0.149921D+01 -0.169407D+01  0.132872D+01  0.136386D+01  0.719530D+00
               156           157           158           159           160 
      1   0.136386D+01 -0.199630D+01 -0.177262D+01  0.537889D+00  0.175083D+01
      2   0.719530D+00 -0.177262D+01 -0.241178D+01  0.810436D+00  0.601373D+00
      3  -0.111809D+01  0.537889D+00  0.810436D+00 -0.906969D+00 -0.840029D+00
               161           162           163           164           165 
      1   0.601373D+00 -0.840029D+00  0.197408D+00 -0.848437D+00 -0.555090D+00
      2   0.149147D+01 -0.116097D+01 -0.848437D+00  0.360036D+00  0.134135D+00
      3  -0.116097D+01  0.553935D+00 -0.555090D+00  0.134135D+00  0.527050D+00
               166           167           168           169           170 
      1  -0.550565D+00  0.200535D+00  0.490384D-01 -0.118492D+01  0.291141D+00
      2   0.200535D+00 -0.101654D+01 -0.108117D+01  0.291141D+00 -0.282763D+01
      3   0.490384D-01 -0.108117D+01 -0.120095D+01  0.661469D+00 -0.246966D+01
               171 
      1   0.661469D+00
      2  -0.246966D+01
      3  -0.651555D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689254D+01  0.782903D+00 -0.172936D+01  0.401941D+00 -0.532045D+01
      2  -0.389232D+01  0.109154D+01  0.626341D+00  0.524140D+00 -0.107446D+01
      3  -0.911639D+01 -0.138934D+02  0.679208D+01 -0.772072D+01  0.579200D+01
                 6             7             8             9            10 
      1   0.290353D+01 -0.264481D+01  0.964798D+01  0.109895D+02 -0.440899D+00
      2   0.249427D+01 -0.330970D+01  0.349057D+01  0.625378D+01  0.308765D+01
      3   0.847914D+00  0.727777D+01  0.531836D+00 -0.139230D+01  0.738280D+01
                11            12            13            14            15 
      1  -0.119095D+00  0.352795D+00 -0.111661D+01  0.242377D+01 -0.284626D+01
      2  -0.147255D-01  0.456274D+01 -0.733279D+00  0.765630D+00 -0.206311D+01
      3  -0.304334D+01  0.659428D-01  0.296182D+01 -0.612480D+01 -0.128058D+01
                16            17            18            19            20 
      1   0.702399D+00  0.371398D+01 -0.246075D+01 -0.127972D+01 -0.175397D+01
      2  -0.189512D+01 -0.254789D+01 -0.103580D+02  0.359386D+01 -0.124420D+00
      3   0.176866D+01 -0.225572D+01  0.239667D+01 -0.179642D+01 -0.282424D+01
                21            22            23            24            25 
      1  -0.170266D+00 -0.149318D+01  0.313029D+01  0.569277D+00  0.953506D+00
      2   0.902207D-01  0.189837D+01 -0.277003D+00  0.571692D-01 -0.656655D+01
      3  -0.226875D+00 -0.313765D+00 -0.498390D+01  0.198811D+01 -0.306473D+01
                26            27            28            29            30 
      1   0.502206D+01 -0.286127D+01 -0.207599D+01 -0.345931D+01  0.384569D+01
      2   0.406590D-01 -0.884707D+00 -0.392749D+01 -0.363737D+00 -0.731415D+00
      3   0.189763D+01 -0.877457D+00 -0.853174D+01  0.544822D+01  0.866474D+00
                31            32            33            34            35 
      1   0.175361D+01 -0.157429D+01 -0.951013D+01  0.140351D+01 -0.572522D+01
      2   0.284739D+01 -0.194594D+01 -0.636816D+01 -0.438646D+00 -0.285489D+01
      3   0.198725D+02  0.136951D+02 -0.472114D+00 -0.900751D+00 -0.240323D+01
                36            37            38            39            40 
      1   0.371421D+01  0.177780D+01 -0.410401D+00 -0.855491D-01  0.245238D+00
      2  -0.236152D+01 -0.311314D+01  0.163897D+00  0.249873D+00 -0.580846D+00
      3   0.659445D+00  0.365488D+01 -0.591609D+00 -0.159934D+01  0.381882D+00
                41            42            43            44            45 
      1   0.922840D+00 -0.236103D+00 -0.172150D+00  0.554706D+01  0.548114D+00
      2  -0.337301D+01 -0.785536D+00 -0.658017D+01 -0.147225D+01 -0.880034D+01
      3   0.604710D+00  0.304016D+01  0.114811D+00  0.357387D+01  0.946618D+00
                46            47            48            49            50 
      1   0.115207D+01  0.494531D+00  0.549456D+00  0.142858D+01  0.197683D+01
      2  -0.944832D+01  0.137939D+01 -0.547258D+01  0.242344D+01 -0.428188D+01
      3  -0.100575D+02  0.113699D+01 -0.230490D+01  0.960156D+01  0.174287D+02
                51            52            53            54            55 
      1  -0.239155D+01  0.145227D+01  0.120368D+01 -0.266985D+01 -0.162003D+01
      2   0.504751D+01 -0.133098D+02  0.403697D+01  0.151590D+02  0.954883D+00
      3   0.381567D+01 -0.373698D+01  0.454830D+01 -0.617304D+01  0.670973D+01
                56            57            58            59            60 
      1   0.336317D+01 -0.741154D+01  0.265699D+01 -0.441634D+01 -0.247960D+01
      2   0.176101D+01  0.433611D+01 -0.295691D-01  0.429114D+00  0.141585D+01
      3  -0.125333D+02  0.179511D+01  0.237752D+01  0.577404D+01 -0.283568D+01
                61            62            63            64            65 
      1  -0.754391D+01  0.774383D+01  0.837629D+01  0.230179D+01  0.625831D+01
      2  -0.143822D+01  0.464458D+00 -0.104913D+01  0.432387D-02  0.176366D-01
      3   0.387112D+01 -0.250035D+01  0.714354D+01  0.264121D+01 -0.744600D+01
                66            67            68            69            70 
      1  -0.288532D+01 -0.246581D+00  0.272275D+01 -0.113861D+01  0.671676D+00
      2   0.902175D+01 -0.341081D+01  0.398472D+01  0.534734D+01 -0.221107D+01
      3  -0.655673D+00 -0.334436D+01 -0.852396D+01 -0.261423D+01  0.274956D+00
                71            72            73            74            75 
      1   0.822627D+01 -0.206996D+01  0.917803D+00 -0.381127D+00 -0.368680D+00
      2   0.294807D+01  0.114250D+02  0.682704D+00 -0.577485D+00  0.933088D+00
      3  -0.234482D+01 -0.215570D+01  0.617962D+00 -0.755329D+00 -0.500251D+00
                76            77            78            79            80 
      1   0.303017D-01  0.393810D+00 -0.393412D+00 -0.571016D+00  0.349460D+01
      2  -0.785432D+00  0.246261D+00 -0.738686D-01 -0.385035D+01  0.294372D+00
      3   0.119962D+01  0.208385D-01 -0.139154D+00 -0.419113D+00  0.168700D+00
                81            82            83            84            85 
      1   0.337440D+01  0.963277D+00 -0.632729D+00 -0.112953D+00 -0.186811D+00
      2   0.835065D+00  0.230217D+01 -0.576750D+00 -0.393984D+00 -0.107907D+01
      3  -0.908615D-01 -0.938627D+00 -0.765064D+00 -0.268968D+00  0.129287D+01
                86            87            88            89            90 
      1   0.695866D+00 -0.453880D+00 -0.599850D+00  0.409615D+01  0.217092D+01
      2   0.174026D+01  0.115762D+01 -0.480088D+01  0.143003D+01  0.992375D+01
      3   0.113366D+00 -0.113257D+01 -0.127014D+00 -0.165341D+01 -0.630261D+00
                91            92            93            94            95 
      1  -0.121112D+01 -0.177495D+01 -0.408768D+00 -0.118457D+01 -0.146368D+01
      2   0.221871D+01  0.290103D+00  0.373499D+01  0.674767D+00 -0.206500D+00
      3  -0.179419D+01 -0.407293D+01  0.975296D+00 -0.161978D+01 -0.275786D+01
                96            97            98            99           100 
      1  -0.255327D+00  0.707593D+00  0.835218D+00 -0.423924D+00  0.260051D+01
      2   0.170297D+01 -0.548615D+00  0.212157D-01 -0.755080D+00 -0.152117D+01
      3   0.976612D+00  0.593023D+00  0.932171D+00 -0.535604D+00 -0.690335D+01
               101           102           103           104           105 
      1  -0.259432D+01  0.419955D+01 -0.261011D+01  0.214626D+01 -0.357780D+01
      2  -0.143073D+00  0.896701D+00  0.275286D+00  0.382197D-01 -0.768872D+00
      3   0.459631D+01 -0.296166D+01  0.780647D+01 -0.510503D+01  0.280426D+01
               106           107           108           109           110 
      1   0.347877D+01 -0.231367D+01  0.374694D+01 -0.126620D+01  0.897497D+00
      2  -0.126037D+01 -0.260039D+00  0.485262D+00  0.795011D+00  0.112094D+00
      3  -0.620321D+01  0.368744D+01 -0.382545D+01 -0.100784D+01  0.589620D+00
               111           112           113           114           115 
      1   0.333572D+01  0.968029D+00 -0.252127D+01 -0.266997D+01  0.353782D+01
      2  -0.141417D+00  0.199816D+00  0.146720D-01 -0.132741D+00 -0.274311D+01
      3   0.784283D+00  0.163657D+01 -0.107519D+01 -0.119989D+01  0.392710D+01
               116           117           118           119           120 
      1  -0.302374D+01 -0.137719D+02 -0.576563D+00  0.697888D+00  0.203955D-01
      2   0.162836D+00  0.560601D+00  0.628605D+01 -0.193075D+01  0.797246D+01
      3  -0.136914D+01 -0.365021D+01  0.668264D+01 -0.677489D+01  0.285569D+01
               121           122           123           124           125 
      1  -0.580631D-01 -0.737726D+00 -0.563761D+00 -0.347690D+00  0.168786D+01
      2  -0.219554D+01  0.247641D+01 -0.435872D+01  0.530195D+01 -0.251605D+01
      3  -0.425468D+01  0.405096D+01 -0.267121D+01  0.324330D+01 -0.477283D+01
               126           127           128           129           130 
      1  -0.147198D-02  0.586503D+00 -0.339680D+00 -0.741206D+00  0.398512D-01
      2   0.522268D+01 -0.251205D+01 -0.321188D-01  0.462048D+01  0.953867D-01
      3   0.318117D+01  0.147594D+01 -0.178862D+01 -0.592196D+00 -0.678103D+00
               131           132           133           134           135 
      1   0.705247D+00 -0.297380D+00 -0.950001D+00  0.342417D+01  0.297218D+01
      2  -0.197242D+01 -0.293767D+01  0.372294D+01 -0.133669D+01 -0.202119D+02
      3   0.867280D-01  0.174936D+01 -0.566949D+00  0.446972D+01  0.258114D+01
               136           137           138           139           140 
      1  -0.173928D+00 -0.315583D+00 -0.555224D+00 -0.151298D+00 -0.855053D+00
      2   0.122255D+01 -0.359887D-01  0.127173D+01 -0.152925D+00  0.212638D+01
      3  -0.203173D+01 -0.248075D+01  0.166237D-01  0.278273D+00 -0.229486D+02
               141           142           143           144           145 
      1  -0.296140D+01 -0.599024D+00  0.432610D+00 -0.305814D-01  0.342145D+01
      2   0.363161D+01  0.398532D+00  0.206317D+01 -0.362118D+00  0.101862D+01
      3  -0.199423D+01  0.327717D+00 -0.263462D+01 -0.140194D+01 -0.629932D+01
               146           147           148           149           150 
      1  -0.115940D+01  0.454455D+01 -0.165577D+01  0.206409D+01 -0.371687D+01
      2  -0.114731D+01  0.356887D+01 -0.412503D+00  0.137675D+01 -0.218840D+01
      3  -0.537967D+00 -0.248528D+01  0.444380D+01 -0.341445D+00  0.423930D+00
               151           152           153           154           155 
      1   0.290703D+01 -0.153027D+01  0.274233D+01  0.283412D+01  0.431226D+00
      2   0.246887D+00 -0.194930D+01  0.193798D+01  0.291840D+01  0.653557D+00
      3  -0.418677D+01 -0.921753D+00 -0.869652D+00  0.167766D+02  0.550356D+01
               156           157           158           159           160 
      1  -0.344594D+01  0.778988D+00  0.109538D+01 -0.279983D+01 -0.207962D+01
      2   0.469389D+00  0.730428D+00  0.103748D+01  0.225265D-01 -0.249073D+01
      3  -0.388904D+01  0.809346D+01  0.526900D+01 -0.207841D+01 -0.500110D+01
               161           162           163           164           165 
      1  -0.837746D+00  0.980926D+00 -0.101834D+01  0.150328D-01  0.106664D+01
      2  -0.960514D+00  0.259038D+00 -0.486098D+00  0.124608D+00  0.120500D+01
      3  -0.198893D+01  0.289870D+01  0.974960D+00  0.337076D+00  0.684847D+00
               166           167           168           169           170 
      1   0.215124D+00 -0.203580D+01 -0.400127D+01  0.125389D+01 -0.174923D+01
      2  -0.289055D+00 -0.110470D+01 -0.119978D+01 -0.225102D+01 -0.261418D+01
      3   0.200904D+01  0.584744D+00  0.956892D+00  0.280816D+01  0.303515D+01
               171 
      1  -0.146783D+02
      2  -0.746425D+01
      3   0.179518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104408D+02  0.117094D+02 -0.790591D+01  0.864315D+01 -0.123094D+02
      2  -0.172890D+02 -0.487301D+01  0.331932D+01 -0.277657D+01  0.169462D+02
      3   0.684816D+01 -0.683640D+01  0.458659D+01 -0.586658D+01 -0.463677D+01
      4   0.771825D+01 -0.199541D+02  0.132889D+02 -0.179539D+02 -0.341451D+01
      5  -0.741810D+01  0.614319D+01 -0.458450D+01  0.415697D+01 -0.357090D+01
      6   0.161266D+02 -0.174247D+01  0.404710D+01 -0.176923D+01  0.803053D+01
                 6             7             8             9            10 
      1  -0.799676D+00 -0.845910D+01  0.915102D-01  0.463029D+01 -0.140895D+02
      2   0.546496D+01  0.211561D+01  0.684808D+01 -0.497268D+01  0.101428D+02
      3  -0.466528D+01  0.634349D+01 -0.693959D+01  0.342386D+00  0.394674D+01
      4  -0.408653D+01  0.126425D+02 -0.633290D+01  0.100643D+02 -0.133196D+02
      5   0.553145D+01 -0.602183D+01  0.775530D+01  0.123735D+02  0.590267D+01
      6  -0.907453D+01  0.518262D+01 -0.131385D+02 -0.196590D+02 -0.229943D+01
                11            12            13            14            15 
      1  -0.141060D+02  0.412353D+01 -0.174580D+02  0.108322D+02  0.212051D+01
      2   0.755834D+01 -0.434419D+01  0.104568D+02 -0.129218D+02 -0.260613D+00
      3   0.654765D+01  0.220667D+00  0.700128D+01  0.208957D+01 -0.185989D+01
      4   0.463331D+01 -0.955150D+00  0.524731D+01  0.883106D+01  0.182119D+01
      5  -0.120846D-01  0.261579D+01  0.483140D-01  0.182402D+01 -0.477792D+01
      6   0.460624D+00 -0.125246D+01  0.811193D+00 -0.232046D+01 -0.694199D-01
                16            17            18            19            20 
      1   0.973729D+01  0.272806D+01  0.951298D+01 -0.131878D+02 -0.501273D+01
      2  -0.498147D+01 -0.376137D+00  0.541695D+01  0.135523D+02  0.851892D+01
      3  -0.475582D+01 -0.235192D+01 -0.149299D+02 -0.364512D+00 -0.350619D+01
      4  -0.126441D+01  0.238251D+01 -0.460996D+01  0.148360D+01  0.282746D+01
      5   0.862974D+01 -0.391902D+01 -0.188498D+02  0.672449D+01  0.131166D+01
      6  -0.747981D+00  0.516965D+01  0.261385D+00  0.168376D+01 -0.188748D+00
                21            22            23            24            25 
      1   0.255341D+01  0.769560D+01  0.116242D+02  0.570679D+01 -0.362740D+01
      2  -0.299062D+01 -0.696344D+01 -0.213509D+02 -0.327542D+01 -0.867628D+00
      3   0.437206D+00 -0.732152D+00  0.972666D+01 -0.243137D+01  0.449503D+01
      4   0.262280D+01 -0.103123D+02 -0.336218D+00  0.188229D+01  0.109830D+01
      5  -0.336394D+00  0.376274D+01  0.451846D+01  0.216452D+00  0.639221D+00
      6   0.387303D+00  0.210060D+01 -0.829701D+00 -0.270687D+01 -0.778999D-02
                26            27            28            29            30 
      1   0.446648D+01  0.629769D+01 -0.752464D+01 -0.635884D+00 -0.800577D+01
      2  -0.556382D+01  0.823835D+01  0.931429D+01  0.876200D+00  0.662974D+01
      3   0.109734D+01 -0.145360D+02 -0.178965D+01 -0.240317D+00  0.137603D+01
      4  -0.327344D+01  0.389145D+00 -0.517055D+01 -0.543408D+01 -0.678108D+01
      5   0.849162D+00  0.231881D+01 -0.187580D+02 -0.785217D+01 -0.187847D+02
      6   0.215713D+01  0.609183D+01 -0.521793D+01 -0.366605D+01 -0.562882D+01
                31            32            33            34            35 
      1  -0.455316D+01 -0.448897D+01 -0.409156D+01 -0.210922D+02 -0.874905D+01
      2   0.179971D+01  0.732977D+01  0.548122D+01  0.952673D+01  0.106859D+01
      3   0.275344D+01 -0.284080D+01 -0.138966D+01  0.115654D+02  0.768046D+01
      4   0.329910D+01 -0.970911D+01 -0.263266D+01 -0.131318D+02 -0.581321D+01
      5  -0.110783D+02 -0.634645D+01 -0.104924D+02 -0.190046D+02 -0.292615D+01
      6  -0.153814D+01 -0.563736D+01  0.397361D+00 -0.503341D+00 -0.828786D+01
                36            37            38            39            40 
      1  -0.272759D+01 -0.189802D+02 -0.797380D+01  0.515221D+01 -0.123103D+02
      2   0.764363D+01  0.834383D+01  0.347106D+01 -0.157646D+01  0.755694D+01
      3  -0.491604D+01  0.106364D+02  0.450274D+01 -0.357575D+01  0.475333D+01
      4  -0.267619D+01 -0.121509D+02 -0.484084D+00  0.601565D+01 -0.775046D+00
      5  -0.466081D+01  0.117573D+02  0.814826D+01  0.710812D+00  0.949268D+01
      6  -0.285946D+01  0.584503D+01  0.109657D+01 -0.221657D+01  0.203158D+01
                41            42            43            44            45 
      1  -0.615425D+01  0.540263D+01  0.224777D+01  0.125766D+01 -0.122651D+02
      2   0.498727D+01 -0.460174D+01  0.370256D+01  0.237687D+01 -0.110888D+02
      3   0.116698D+01 -0.800889D+00 -0.595033D+01 -0.363453D+01  0.233539D+02
      4  -0.367696D+01 -0.415929D+01  0.513001D+01 -0.350816D+01 -0.385818D+01
      5  -0.276467D+01 -0.436602D+01  0.102561D+02 -0.296908D+01 -0.209016D+02
      6   0.164609D+01  0.564152D+01 -0.270405D+01  0.830239D+01 -0.144878D+01
                46            47            48            49            50 
      1   0.114681D+01  0.229652D+02 -0.178561D+02  0.270951D+02 -0.356491D+01
      2   0.360494D+00 -0.138339D+02  0.844319D+01 -0.177923D+02 -0.395975D+01
      3  -0.150730D+01 -0.913131D+01  0.941288D+01 -0.930277D+01  0.752467D+01
      4   0.228536D+02 -0.187416D+01  0.239908D+01 -0.651360D+01 -0.257373D+02
      5  -0.199477D+02  0.314014D+01 -0.133319D+02  0.433525D+01 -0.934385D+01
      6  -0.205733D+00 -0.316342D+00  0.202169D+00 -0.157832D+01 -0.235660D+01
                51            52            53            54            55 
      1   0.592429D+01 -0.237365D+02  0.365164D+01 -0.126181D+02  0.165735D+02
      2  -0.311405D+01  0.949985D+01 -0.192238D+01  0.145855D+02 -0.156164D+02
      3  -0.281024D+01  0.142366D+02 -0.172926D+01 -0.196741D+01 -0.957071D+00
      4  -0.735948D+01  0.339216D+01 -0.621176D+01  0.857369D+01  0.791340D+01
      5   0.109876D+02 -0.206765D+02  0.930270D+01  0.289222D+02 -0.243685D+01
      6   0.119875D+01  0.438896D+00 -0.812827D+00  0.155091D+01  0.566239D+01
                56            57            58            59            60 
      1  -0.253503D+01  0.849597D-02 -0.683889D+01 -0.195880D+02 -0.412084D+01
      2   0.562329D+01 -0.253589D+01  0.131730D+02  0.329777D+02  0.538144D+01
      3  -0.308826D+01  0.252739D+01 -0.633409D+01 -0.133897D+02 -0.126060D+01
      4  -0.650184D+01  0.411234D+01  0.186443D+01  0.126058D+02 -0.437523D+01
      5   0.247195D+01  0.799481D+00 -0.125326D+00 -0.362808D+01  0.198784D+01
      6  -0.468995D+01  0.117033D+02 -0.543776D+01  0.591873D+01  0.134070D+01
                61            62            63            64            65 
      1   0.203694D+01 -0.931435D+00  0.210041D+01  0.386487D+02  0.904341D+01
      2  -0.269780D+01  0.581728D+01 -0.192507D+01 -0.256731D+02 -0.479338D+01
      3   0.660856D+00 -0.488585D+01 -0.175341D+00 -0.129756D+02 -0.425003D+01
      4   0.490763D+01 -0.346560D+01  0.106834D+02  0.136459D+02  0.152978D+02
      5   0.205141D+01  0.389102D+01  0.426770D+00  0.283293D+02  0.690044D+01
      6   0.142567D+02 -0.144038D+01 -0.136846D+02  0.528182D+01  0.646546D+01
                66            67            68            69            70 
      1   0.131072D+02  0.524044D+01  0.435105D+00 -0.547587D+00  0.185108D+02
      2  -0.120921D+02 -0.630424D+00  0.555158D+01  0.719785D-01 -0.171186D+02
      3  -0.101506D+01 -0.461001D+01 -0.598669D+01  0.475609D+00 -0.139217D+01
      4   0.671993D+01  0.167019D+02  0.176017D+02  0.111466D+02  0.917862D+01
      5   0.277386D+02  0.852617D+01  0.128625D+02  0.111002D+02  0.285126D+02
      6   0.511616D+01  0.487265D+01  0.907767D+01  0.114232D+02  0.542458D+01
                71            72            73            74            75 
      1   0.343439D+01  0.137196D+01  0.103696D+01 -0.116542D+00  0.321442D-01
      2  -0.407881D+01 -0.150173D+02 -0.404636D+01  0.487263D-01  0.147930D+01
      3   0.644415D+00  0.136454D+02  0.300939D+01  0.678155D-01 -0.151144D+01
      4   0.111197D+02  0.762578D+01  0.546013D+00  0.148223D+01 -0.123657D+01
      5   0.971680D+01  0.346190D+02 -0.236633D+01 -0.359467D+00  0.631919D+01
      6   0.121383D+02  0.902385D+01 -0.122686D+01 -0.728340D+00  0.860645D+00
                76            77            78            79            80 
      1   0.921454D-01 -0.404634D+01 -0.672313D+00  0.423109D+00  0.140151D+01
      2   0.191526D+00  0.154459D+01 -0.141816D+01  0.197714D+01 -0.205536D+01
      3  -0.283671D+00  0.250175D+01  0.209048D+01 -0.240025D+01  0.653853D+00
      4   0.203771D+01 -0.324466D+00 -0.636873D+00 -0.596869D+00  0.655703D-01
      5  -0.939124D-01 -0.102810D+01 -0.666572D+00  0.437702D+01  0.264810D+00
      6  -0.608051D+00 -0.151898D+00  0.562882D+01  0.128551D+00  0.398415D+01
                81            82            83            84            85 
      1  -0.150494D+02  0.158985D+01  0.229068D+01  0.260824D+01  0.287271D+01
      2  -0.139209D+02 -0.413952D+01 -0.850863D+00  0.241031D+00 -0.163966D+01
      3   0.289703D+02  0.254967D+01 -0.143982D+01 -0.284927D+01 -0.123305D+01
      4   0.724700D+00  0.214965D+01  0.793137D+00  0.110921D+00  0.132601D+01
      5  -0.299269D+01  0.594701D+00  0.203285D+00  0.477394D+01  0.503264D-01
      6  -0.705024D+01  0.678020D-01 -0.419230D+00 -0.433800D+00 -0.228762D+00
                86            87            88            89            90 
      1  -0.474853D+01 -0.156256D+01  0.434564D+01 -0.701330D+00 -0.163629D+02
      2   0.168211D+01 -0.117203D+01 -0.153108D+01 -0.234345D+01 -0.146047D+02
      3   0.306642D+01  0.273459D+01 -0.281456D+01  0.304478D+01  0.309676D+02
      4  -0.438837D+00  0.206151D+01  0.451133D+00  0.302693D+01  0.232973D+01
      5   0.225919D+01  0.204333D+01  0.292999D+01  0.174134D+01  0.168572D+02
      6   0.193547D+01  0.674395D+01  0.848933D-01  0.393326D+01  0.279291D+00
                91            92            93            94            95 
      1   0.372043D+02  0.832322D+01 -0.123273D+02  0.982208D+01  0.482970D+01
      2  -0.213917D+02 -0.426402D+01  0.907520D+01 -0.443524D+01 -0.105392D+01
      3  -0.158125D+02 -0.405920D+01  0.325213D+01 -0.538685D+01 -0.377578D+01
      4   0.112376D+02  0.769152D+01 -0.455163D+01  0.105989D+02  0.611558D+01
      5  -0.243512D+02 -0.620875D+01  0.154124D+02 -0.871156D+01 -0.566104D+01
      6  -0.545729D+01 -0.334821D+01  0.304835D+01 -0.424599D+01 -0.296896D+01
                96            97            98            99           100 
      1  -0.383268D+01 -0.162588D+01 -0.136295D-01  0.262428D+01 -0.224413D+01
      2   0.276090D+01  0.383170D+01  0.879873D+00 -0.432936D+01  0.835176D+01
      3   0.107178D+01 -0.220582D+01 -0.866244D+00  0.170509D+01 -0.610763D+01
      4  -0.448051D+01 -0.104991D+01 -0.116885D+01  0.167197D+01 -0.116124D+02
      5   0.596447D+01  0.804878D+01  0.215483D+01 -0.813597D+01  0.353517D+01
      6   0.336152D+01  0.143098D+01  0.157917D+01 -0.181578D+01 -0.696636D+01
               101           102           103           104           105 
      1   0.701207D+01 -0.209888D+01  0.437383D+01 -0.109174D+02  0.327011D+01
      2  -0.143219D+02  0.416163D+01 -0.997432D+01  0.202614D+02 -0.590549D+01
      3   0.730980D+01 -0.206275D+01  0.560049D+01 -0.934402D+01  0.263538D+01
      4   0.161357D+02 -0.623404D+01  0.139270D+02 -0.131672D+02  0.549923D+01
      5  -0.331579D+01  0.397278D+01 -0.158294D+01  0.302082D+01 -0.184512D+01
      6   0.857517D+01 -0.770110D+01  0.670891D+01 -0.881255D+01  0.784997D+01
               106           107           108           109           110 
      1  -0.355614D+01  0.653899D+01 -0.540741D+01 -0.167612D+01  0.172605D+01
      2   0.503653D+01 -0.937662D+01  0.446337D+01  0.217563D+01 -0.219708D+01
      3  -0.148039D+01  0.283763D+01  0.944038D+00 -0.499508D+00  0.471028D+00
      4  -0.900566D+01  0.840185D+01 -0.686755D+01 -0.122377D+01  0.459724D+01
      5   0.396697D+01 -0.329352D+01  0.351320D+01 -0.130391D+01  0.680068D+00
      6  -0.799960D+01  0.112133D+02 -0.942739D+01  0.120959D+01 -0.346661D+01
               111           112           113           114           115 
      1   0.190589D+01  0.572811D+00 -0.421077D+01 -0.222216D+01  0.136507D+01
      2  -0.157434D+01 -0.989870D+00  0.577985D+01  0.321395D+01 -0.129036D+01
      3  -0.331555D+00  0.417059D+00 -0.156908D+01 -0.991797D+00 -0.747067D-01
      4   0.163762D+01  0.400406D+01 -0.158513D+01 -0.261858D+01  0.532736D+01
      5   0.258975D+01  0.300132D+00 -0.141720D+01 -0.996992D+00  0.237530D+01
      6  -0.508161D+01 -0.293988D+01  0.359245D+01  0.688695D+01 -0.593789D+01
               116           117           118           119           120 
      1  -0.770393D+01 -0.934873D+01  0.522205D+02 -0.110679D+02  0.160350D+02
      2   0.853904D+01  0.169349D+01 -0.286426D+02  0.568984D+01 -0.962850D+01
      3  -0.835109D+00  0.765523D+01 -0.235779D+02  0.537807D+01 -0.640648D+01
      4  -0.377772D+01 -0.466019D+01 -0.109154D+02  0.104775D+02 -0.368176D+01
      5  -0.194975D+01 -0.372612D+01  0.189049D+02 -0.438400D+01  0.157092D+02
      6   0.106573D+02  0.239902D+02 -0.280693D+00  0.572373D+00  0.141338D+00
               121           122           123           124           125 
      1  -0.217422D+02  0.757137D+01 -0.510806D+01  0.252608D+02 -0.382998D+01
      2   0.117313D+02 -0.180839D+01  0.311365D+01 -0.154048D+02  0.248883D+01
      3   0.100109D+02 -0.576298D+01  0.199441D+01 -0.985600D+01  0.134115D+01
      4   0.124871D+02 -0.743726D+01  0.564206D+01 -0.498578D+01  0.755942D+01
      5  -0.716334D+01  0.580536D+01 -0.815288D+01  0.190508D+02 -0.550981D+01
      6   0.140675D+01 -0.149377D+01  0.183756D+01 -0.685941D+00  0.224593D+01
               126           127           128           129           130 
      1   0.116077D+02  0.856090D+01 -0.245976D+01 -0.550833D+01 -0.580975D+01
      2  -0.106534D+02 -0.713160D+01  0.165972D+01  0.464035D+01  0.386475D+01
      3  -0.954271D+00 -0.142929D+01  0.800041D+00  0.867977D+00  0.194500D+01
      4  -0.480778D+01 -0.189958D+01  0.263831D+01  0.187602D-01  0.417065D+01
      5   0.128008D+02 -0.688647D+01  0.441476D+00  0.122107D+02  0.218718D+01
      6  -0.129409D+01  0.856521D-01 -0.113758D+00  0.836890D+00 -0.143955D+01
               131           132           133           134           135 
      1   0.252139D+00 -0.169923D+00 -0.130035D+02 -0.781973D+00  0.326892D+01
      2  -0.157522D+00 -0.127810D+01  0.116286D+02 -0.289771D+00 -0.174547D+02
      3  -0.946171D-01  0.144803D+01  0.137490D+01  0.107174D+01  0.141858D+02
      4   0.162922D+00 -0.445294D+01 -0.638975D+00 -0.755305D+01 -0.279832D+01
      5  -0.404446D+01 -0.578778D+01  0.205628D+02 -0.261949D+01 -0.408847D+02
      6   0.144150D+01  0.389066D+01  0.277869D+00  0.449142D+01 -0.187017D+01
               136           137           138           139           140 
      1   0.331456D+01  0.285837D+01  0.228653D+01  0.115600D+02 -0.636926D+00
      2   0.724608D+00  0.129341D+01 -0.105497D+01 -0.305362D+01  0.151396D+02
      3  -0.403917D+01 -0.415178D+01 -0.123156D+01 -0.850641D+01 -0.145027D+02
      4   0.535204D+01  0.994606D+01  0.570131D+00  0.154867D+02  0.403509D+02
      5   0.214588D+01  0.257144D+00  0.271820D+01  0.352767D+00  0.466220D+01
      6   0.248717D+00 -0.933375D-01  0.672362D+00  0.870346D+00  0.201312D+01
               141           142           143           144           145 
      1  -0.860327D+00  0.424616D+01 -0.779234D+00  0.817426D+00  0.132260D+02
      2   0.145607D+01 -0.185025D+01  0.124158D+01 -0.956433D+00  0.951181D+00
      3  -0.595745D+00 -0.239591D+01 -0.462350D+00  0.139008D+00 -0.141771D+02
      4   0.380632D+01  0.136154D+01  0.452184D+01  0.360195D+01 -0.261054D+02
      5   0.657615D+01  0.512538D+01  0.425217D+01 -0.577999D+00  0.905555D+01
      6   0.466116D+01  0.102087D+01  0.517949D+01  0.156234D+01 -0.921825D+01
               146           147           148           149           150 
      1  -0.246659D+01  0.312505D+01 -0.216458D+01 -0.290337D+01  0.150216D+01
      2  -0.948027D+01  0.229937D-01 -0.675344D+01  0.145002D+02 -0.477061D+01
      3   0.119469D+02 -0.314805D+01  0.891802D+01 -0.115968D+02  0.326845D+01
      4   0.239663D+02 -0.101304D+02  0.184577D+02 -0.193358D+02  0.739947D+01
      5  -0.586503D+01  0.836853D+01 -0.390285D+01  0.565042D+01 -0.448913D+01
      6   0.729526D+01 -0.892076D+01  0.562576D+01 -0.869022D+01  0.822491D+01
               151           152           153           154           155 
      1   0.435462D+01  0.253937D+01 -0.890009D+00 -0.837140D+01 -0.137818D+02
      2  -0.506642D+00 -0.727821D+01  0.923149D+00  0.103727D+02  0.176457D+02
      3  -0.384797D+01  0.473883D+01 -0.331394D-01 -0.200126D+01 -0.386397D+01
      4  -0.122621D+02  0.114800D+02 -0.964902D+01  0.151836D+02  0.805042D+01
      5   0.851220D+01 -0.667073D+01  0.701920D+01 -0.104010D+01 -0.136195D+01
      6  -0.779104D+01  0.103826D+02 -0.754567D+01 -0.713618D+01 -0.508875D+01
               156           157           158           159           160 
      1   0.464914D+01 -0.858193D+01 -0.105267D+02  0.342071D+01  0.464710D+01
      2  -0.347271D+01  0.108289D+02  0.155927D+02 -0.429172D+01 -0.270296D+01
      3  -0.117642D+01 -0.224698D+01 -0.506597D+01  0.871008D+00 -0.194414D+01
      4  -0.482247D+01  0.978488D+01  0.543436D+01 -0.162089D+01 -0.571366D+01
      5   0.171178D+01 -0.506479D+00 -0.271134D+00 -0.215220D+00  0.273470D+01
      6   0.640463D+01 -0.364540D+01 -0.510944D+01  0.592747D+01  0.437342D+01
               161           162           163           164           165 
      1   0.540595D+01 -0.534904D+01 -0.506757D+00 -0.161217D+01 -0.139560D+01
      2  -0.666188D+01  0.314654D+01  0.949603D+00  0.149030D+00  0.101259D+01
      3   0.125593D+01  0.220250D+01 -0.442847D+00  0.146314D+01  0.383004D+00
      4  -0.637675D+00  0.147332D+01 -0.256567D+01  0.549047D+01  0.219264D+01
      5  -0.694591D+00 -0.180395D+01 -0.207462D+01  0.957315D+00  0.502134D+01
      6   0.721637D+01 -0.337572D+01  0.179732D+01 -0.603653D+00 -0.218509D+01
               166           167           168           169           170 
      1  -0.589199D+00 -0.463533D+01 -0.422332D+01 -0.231904D+01 -0.888879D+01
      2  -0.433671D+00  0.533166D+01  0.487136D+01  0.138839D+01  0.982250D+01
      3   0.102287D+01 -0.696329D+00 -0.648043D+00  0.930654D+00 -0.933705D+00
      4   0.419807D+01 -0.281930D+01 -0.246902D+01  0.515995D+01 -0.681540D+01
      5  -0.477896D-01 -0.252711D+01 -0.261743D+01  0.596661D+01 -0.625580D+01
      6  -0.630028D+00  0.601110D+01  0.104713D+02 -0.312158D+01  0.148083D+02
               171 
      1  -0.113034D+02
      2  -0.277551D+00
      3   0.115810D+02
      4  -0.721079D+01
      5  -0.159505D+02
      6   0.285667D+02
 Leave Link  716 at Sun Sep 26 20:08:28 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880366D+02  0.312019D+01  0.366680D+00
      2   0.312019D+01  0.797792D+02  0.129569D+01
      3   0.366680D+00  0.129569D+01  0.736350D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.435418D+00 -0.477725D+01  0.227063D+01
      2   0.207967D+01 -0.311637D+01  0.214656D+02
      3   0.671761D+01 -0.384205D+02  0.321270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.776425D+02 -0.193927D+02  0.559515D+01
      2  -0.308916D+02  0.184314D+02  0.341616D+01
      3  -0.467509D+02  0.961359D+00 -0.901131D+01
      4  -0.226851D+02  0.689677D+02 -0.813336D+01
      5  -0.233147D-02 -0.900257D+01  0.264334D+02
      6  -0.294163D+01 -0.210051D+01 -0.126297D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103252D+01  0.487951D+01 -0.329932D+01  0.425408D+01 -0.670541D+00
      2   0.487951D+01 -0.943176D+00  0.424616D+00 -0.670541D+00 -0.348197D+01
      3  -0.329932D+01  0.424616D+00 -0.939238D+00  0.337629D+00 -0.122085D+01
                 6             7             8             9            10 
      1   0.337629D+00 -0.365132D+01  0.521518D+00 -0.119674D+01  0.116666D-01
      2  -0.122085D+01  0.521518D+00 -0.192379D+01  0.291161D+01 -0.436721D+01
      3   0.210929D+01 -0.119674D+01  0.291161D+01  0.527636D+01  0.201224D+01
                11            12            13            14            15 
      1  -0.436721D+01  0.201224D+01 -0.586935D+01  0.851189D+00 -0.141121D+00
      2   0.132076D+01  0.334395D-01  0.851189D+00  0.481389D+01  0.809819D+00
      3   0.334395D-01  0.134737D+01 -0.141121D+00  0.809819D+00 -0.159914D+01
                16            17            18            19            20 
      1   0.378132D+01 -0.220768D-01  0.196962D+01 -0.708897D+00  0.442184D+01
      2  -0.220768D-01  0.148422D+01 -0.197809D+01  0.442184D+01  0.123540D+00
      3   0.196962D+01 -0.197809D+01 -0.799432D+01 -0.239344D+01 -0.266381D+00
                21            22            23            24            25 
      1  -0.239344D+01  0.311262D+01 -0.154591D+01 -0.435670D+00 -0.291955D+01
      2  -0.266381D+00 -0.154591D+01 -0.462209D+01 -0.144810D+01 -0.639073D-01
      3  -0.939890D+00 -0.435670D+00 -0.144810D+01  0.129609D+01 -0.135385D+01
                26            27            28            29            30 
      1  -0.639073D-01 -0.135385D+01  0.488338D-01  0.896244D-01  0.365687D+01
      2  -0.207528D+01  0.983071D+00  0.896244D-01  0.225127D+01  0.145941D+01
      3   0.983071D+00  0.658283D+01  0.365687D+01  0.145941D+01  0.238525D+01
                31            32            33            34            35 
      1   0.117681D+01  0.119960D+01  0.161478D+01  0.497733D+01  0.202545D+01
      2   0.119960D+01  0.586245D+00  0.156652D+01  0.202545D+01  0.246777D+01
      3   0.161478D+01  0.156652D+01  0.104846D+01  0.218170D+01  0.566155D+00
                36            37            38            39            40 
      1   0.218170D+01  0.580436D+01  0.197162D+01 -0.109112D+01  0.274372D+01
      2   0.566155D+00  0.197162D+01  0.649704D+00 -0.107253D+01  0.513748D+00
      3   0.661153D-01 -0.109112D+01 -0.107253D+01  0.115815D+01 -0.131586D+01
                41            42            43            44            45 
      1   0.513748D+00 -0.131586D+01  0.341627D+00 -0.434587D+00 -0.796864D+00
      2   0.112144D+01  0.946354D+00 -0.434587D+00  0.188340D+01  0.239143D+00
      3   0.946354D+00  0.864980D+00 -0.796864D+00  0.239143D+00  0.497015D+01
                46            47            48            49            50 
      1   0.440250D+00  0.386854D+01 -0.266908D+01  0.469434D+01 -0.126069D+01
      2   0.386854D+01 -0.277226D+00  0.479006D+00 -0.126069D+01 -0.549637D+01
      3  -0.266908D+01  0.479006D+00 -0.222331D+01  0.615059D+00 -0.143829D+01
                51            52            53            54            55 
      1   0.615059D+00 -0.426984D+01  0.345320D+00 -0.327562D+01  0.254228D+01
      2  -0.143829D+01  0.345320D+00 -0.151299D+01  0.160157D+01 -0.270644D+01
      3   0.191470D+01 -0.327562D+01  0.160157D+01  0.550207D+01  0.130204D+01
                56            57            58            59            60 
      1  -0.270644D+01  0.130204D+01 -0.795954D+00  0.260360D+01 -0.451966D+00
      2   0.193274D+01 -0.692007D+00  0.260360D+01  0.481191D+01  0.119649D+01
      3  -0.692007D+00  0.248815D+01 -0.451966D+00  0.119649D+01 -0.102444D+01
                61            62            63            64            65 
      1   0.190367D+01 -0.873334D+00  0.291226D+01 -0.713690D+01 -0.265624D+01
      2  -0.873334D+00  0.125894D+01 -0.934041D+00 -0.265624D+01 -0.280858D+01
      3   0.291226D+01 -0.934041D+00 -0.341564D+01 -0.426389D+01 -0.109873D+01
                66            67            68            69            70 
      1  -0.426389D+01 -0.303539D+01 -0.227718D+01 -0.117304D+01 -0.568199D+01
      2  -0.109873D+01 -0.227718D+01 -0.306445D+01 -0.276185D+01 -0.186313D+01
      3  -0.335490D+01 -0.117304D+01 -0.276185D+01 -0.185978D+01 -0.387442D+01
                71            72            73            74            75 
      1  -0.186313D+01 -0.387442D+01  0.652403D+00 -0.530969D+00 -0.845828D+00
      2  -0.377683D+01 -0.200753D+01 -0.530969D+00  0.405488D+00  0.228697D-01
      3  -0.200753D+01 -0.688260D+01 -0.845828D+00  0.228697D-01  0.971897D+00
                76            77            78            79            80 
      1  -0.640596D+00  0.218415D+00  0.412615D-01 -0.140131D+01  0.165320D+00
      2   0.218415D+00  0.408261D+00 -0.939515D+00  0.165320D+00 -0.137811D+01
      3   0.412615D-01 -0.939515D+00 -0.410814D+00  0.448838D+00  0.218981D-01
                81            82            83            84            85 
      1   0.448838D+00 -0.664943D+00  0.860499D+00  0.893568D+00  0.979611D+00
      2   0.218981D-01  0.860499D+00 -0.378094D+00 -0.427599D-01 -0.218805D+00
      3  -0.715461D+01  0.893568D+00 -0.427599D-01 -0.524139D+00 -0.149668D-01
                86            87            88            89            90 
      1  -0.218805D+00 -0.149668D-01  0.145136D+01 -0.959811D-01 -0.389911D+00
      2  -0.160062D+00  0.109203D+01 -0.959811D-01  0.170687D+01  0.845002D+00
      3   0.109203D+01  0.997238D+00 -0.389911D+00  0.845002D+00  0.803743D+01
                91            92            93            94            95 
      1  -0.782129D+01 -0.194860D+01  0.312038D+01 -0.265768D+01 -0.157244D+01
      2  -0.194860D+01 -0.143644D+01  0.796269D+00 -0.157244D+01 -0.102829D+01
      3   0.312038D+01  0.796269D+00 -0.254485D+01  0.117637D+01  0.887950D+00
                96            97            98            99           100 
      1   0.117637D+01  0.104403D+01  0.241688D+00 -0.110086D+01 -0.232279D+01
      2   0.887950D+00  0.241688D+00  0.429327D+00 -0.342820D+00  0.277406D+01
      3  -0.108439D+01 -0.110086D+01 -0.342820D+00  0.156098D+01 -0.119116D+01
               101           102           103           104           105 
      1   0.277406D+01 -0.119116D+01  0.247397D+01 -0.243563D+01  0.999671D+00
      2  -0.346055D+01  0.124549D+01 -0.243563D+01  0.458659D+01 -0.131108D+01
      3   0.124549D+01 -0.128201D+01  0.999671D+00 -0.131108D+01  0.124133D+01
               106           107           108           109           110 
      1  -0.215168D+01  0.172104D+01 -0.143424D+01 -0.290239D+00  0.763062D+00
      2   0.172104D+01 -0.300596D+01  0.177617D+01  0.763062D+00 -0.579899D+00
      3  -0.143424D+01  0.177617D+01 -0.178893D+01  0.385256D+00 -0.543503D+00
               111           112           113           114           115 
      1   0.385256D+00  0.612594D+00 -0.260856D+00 -0.469142D+00  0.142842D+01
      2  -0.543503D+00 -0.260856D+00  0.126154D+01  0.784866D+00 -0.659554D+00
      3  -0.953614D+00 -0.469142D+00  0.784866D+00  0.941300D+00 -0.122419D+01
               116           117           118           119           120 
      1  -0.659554D+00 -0.122419D+01  0.709447D+01 -0.168474D+01  0.239715D+01
      2   0.262847D+01  0.200587D+01 -0.168474D+01  0.129035D+01 -0.560787D+00
      3   0.200587D+01  0.536567D+01  0.239715D+01 -0.560787D+00  0.190637D+01
               121           122           123           124           125 
      1  -0.354103D+01  0.164275D+01 -0.871020D+00  0.424146D+01 -0.703479D+00
      2   0.164275D+01 -0.852412D+00  0.876245D+00 -0.703479D+00  0.117334D+01
      3  -0.871020D+00  0.876245D+00 -0.111637D+01  0.241963D+01 -0.784718D+00
               126           127           128           129           130 
      1   0.241963D+01  0.132138D+01 -0.356765D+00 -0.977701D+00 -0.105802D+01
      2  -0.784718D+00 -0.356765D+00  0.245619D+00  0.246484D-01  0.531572D+00
      3   0.159132D+01 -0.977701D+00  0.246484D-01  0.117258D+01  0.280704D+00
               131           132           133           134           135 
      1   0.531572D+00  0.280704D+00 -0.271728D+01 -0.685439D-01  0.269441D+01
      2   0.693565D-01 -0.776035D+00 -0.685439D-01 -0.133621D+01 -0.373076D+00
      3  -0.776035D+00 -0.104941D+01  0.269441D+01 -0.373076D+00 -0.701495D+01
               136           137           138           139           140 
      1   0.630620D+00  0.882930D+00  0.362181D+00  0.240891D+01  0.193138D+01
      2   0.882930D+00  0.105061D+01  0.578142D-01  0.193138D+01  0.778839D+01
      3   0.362181D+00  0.578142D-01  0.333976D+00  0.617385D-01  0.666339D+00
               141           142           143           144           145 
      1   0.617385D-01  0.785950D+00  0.195744D+00  0.699580D+00  0.437207D+01
      2   0.666339D+00  0.195744D+00  0.949327D+00  0.794487D+00 -0.314221D+01
      3   0.102586D+01  0.699580D+00  0.794487D+00 -0.689837D-01  0.179309D+01
               146           147           148           149           150 
      1  -0.314221D+01  0.179309D+01 -0.231176D+01  0.232189D+01 -0.841361D+00
      2   0.354374D+01 -0.112054D+01  0.232189D+01 -0.331366D+01  0.133984D+01
      3  -0.112054D+01  0.158924D+01 -0.841361D+00  0.133984D+01 -0.118698D+01
               151           152           153           154           155 
      1   0.227188D+01 -0.132400D+01  0.149921D+01 -0.520320D+01 -0.227009D+01
      2  -0.132400D+01  0.236367D+01 -0.169407D+01 -0.227009D+01 -0.328989D+01
      3   0.149921D+01 -0.169407D+01  0.132872D+01  0.136386D+01  0.719530D+00
               156           157           158           159           160 
      1   0.136386D+01 -0.199630D+01 -0.177262D+01  0.537889D+00  0.175083D+01
      2   0.719530D+00 -0.177262D+01 -0.241178D+01  0.810436D+00  0.601373D+00
      3  -0.111809D+01  0.537889D+00  0.810436D+00 -0.906969D+00 -0.840029D+00
               161           162           163           164           165 
      1   0.601373D+00 -0.840029D+00  0.197408D+00 -0.848437D+00 -0.555090D+00
      2   0.149147D+01 -0.116097D+01 -0.848437D+00  0.360036D+00  0.134135D+00
      3  -0.116097D+01  0.553935D+00 -0.555090D+00  0.134135D+00  0.527050D+00
               166           167           168           169           170 
      1  -0.550565D+00  0.200535D+00  0.490384D-01 -0.118492D+01  0.291141D+00
      2   0.200535D+00 -0.101654D+01 -0.108117D+01  0.291141D+00 -0.282763D+01
      3   0.490384D-01 -0.108117D+01 -0.120095D+01  0.661469D+00 -0.246966D+01
               171 
      1   0.661469D+00
      2  -0.246966D+01
      3  -0.651555D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.689254D+01  0.782903D+00 -0.172936D+01  0.401941D+00 -0.532045D+01
      2  -0.389232D+01  0.109154D+01  0.626341D+00  0.524140D+00 -0.107446D+01
      3  -0.911639D+01 -0.138934D+02  0.679208D+01 -0.772072D+01  0.579200D+01
                 6             7             8             9            10 
      1   0.290353D+01 -0.264481D+01  0.964798D+01  0.109895D+02 -0.440899D+00
      2   0.249427D+01 -0.330970D+01  0.349057D+01  0.625378D+01  0.308765D+01
      3   0.847914D+00  0.727777D+01  0.531836D+00 -0.139230D+01  0.738280D+01
                11            12            13            14            15 
      1  -0.119095D+00  0.352795D+00 -0.111661D+01  0.242377D+01 -0.284626D+01
      2  -0.147255D-01  0.456274D+01 -0.733279D+00  0.765630D+00 -0.206311D+01
      3  -0.304334D+01  0.659428D-01  0.296182D+01 -0.612480D+01 -0.128058D+01
                16            17            18            19            20 
      1   0.702399D+00  0.371398D+01 -0.246075D+01 -0.127972D+01 -0.175397D+01
      2  -0.189512D+01 -0.254789D+01 -0.103580D+02  0.359386D+01 -0.124420D+00
      3   0.176866D+01 -0.225572D+01  0.239667D+01 -0.179642D+01 -0.282424D+01
                21            22            23            24            25 
      1  -0.170266D+00 -0.149318D+01  0.313029D+01  0.569277D+00  0.953506D+00
      2   0.902207D-01  0.189837D+01 -0.277003D+00  0.571692D-01 -0.656655D+01
      3  -0.226875D+00 -0.313765D+00 -0.498390D+01  0.198811D+01 -0.306473D+01
                26            27            28            29            30 
      1   0.502206D+01 -0.286127D+01 -0.207599D+01 -0.345931D+01  0.384569D+01
      2   0.406590D-01 -0.884707D+00 -0.392749D+01 -0.363737D+00 -0.731415D+00
      3   0.189763D+01 -0.877457D+00 -0.853174D+01  0.544822D+01  0.866474D+00
                31            32            33            34            35 
      1   0.175361D+01 -0.157429D+01 -0.951013D+01  0.140351D+01 -0.572522D+01
      2   0.284739D+01 -0.194594D+01 -0.636816D+01 -0.438646D+00 -0.285489D+01
      3   0.198725D+02  0.136951D+02 -0.472114D+00 -0.900751D+00 -0.240323D+01
                36            37            38            39            40 
      1   0.371421D+01  0.177780D+01 -0.410401D+00 -0.855491D-01  0.245238D+00
      2  -0.236152D+01 -0.311314D+01  0.163897D+00  0.249873D+00 -0.580846D+00
      3   0.659445D+00  0.365488D+01 -0.591609D+00 -0.159934D+01  0.381882D+00
                41            42            43            44            45 
      1   0.922840D+00 -0.236103D+00 -0.172150D+00  0.554706D+01  0.548114D+00
      2  -0.337301D+01 -0.785536D+00 -0.658017D+01 -0.147225D+01 -0.880034D+01
      3   0.604710D+00  0.304016D+01  0.114811D+00  0.357387D+01  0.946618D+00
                46            47            48            49            50 
      1   0.115207D+01  0.494531D+00  0.549456D+00  0.142858D+01  0.197683D+01
      2  -0.944832D+01  0.137939D+01 -0.547258D+01  0.242344D+01 -0.428188D+01
      3  -0.100575D+02  0.113699D+01 -0.230490D+01  0.960156D+01  0.174287D+02
                51            52            53            54            55 
      1  -0.239155D+01  0.145227D+01  0.120368D+01 -0.266985D+01 -0.162003D+01
      2   0.504751D+01 -0.133098D+02  0.403697D+01  0.151590D+02  0.954883D+00
      3   0.381567D+01 -0.373698D+01  0.454830D+01 -0.617304D+01  0.670973D+01
                56            57            58            59            60 
      1   0.336317D+01 -0.741154D+01  0.265699D+01 -0.441634D+01 -0.247960D+01
      2   0.176101D+01  0.433611D+01 -0.295691D-01  0.429114D+00  0.141585D+01
      3  -0.125333D+02  0.179511D+01  0.237752D+01  0.577404D+01 -0.283568D+01
                61            62            63            64            65 
      1  -0.754391D+01  0.774383D+01  0.837629D+01  0.230179D+01  0.625831D+01
      2  -0.143822D+01  0.464458D+00 -0.104913D+01  0.432387D-02  0.176366D-01
      3   0.387112D+01 -0.250035D+01  0.714354D+01  0.264121D+01 -0.744600D+01
                66            67            68            69            70 
      1  -0.288532D+01 -0.246581D+00  0.272275D+01 -0.113861D+01  0.671676D+00
      2   0.902175D+01 -0.341081D+01  0.398472D+01  0.534734D+01 -0.221107D+01
      3  -0.655673D+00 -0.334436D+01 -0.852396D+01 -0.261423D+01  0.274956D+00
                71            72            73            74            75 
      1   0.822627D+01 -0.206996D+01  0.917803D+00 -0.381127D+00 -0.368680D+00
      2   0.294807D+01  0.114250D+02  0.682704D+00 -0.577485D+00  0.933088D+00
      3  -0.234482D+01 -0.215570D+01  0.617962D+00 -0.755329D+00 -0.500251D+00
                76            77            78            79            80 
      1   0.303017D-01  0.393810D+00 -0.393412D+00 -0.571016D+00  0.349460D+01
      2  -0.785432D+00  0.246261D+00 -0.738686D-01 -0.385035D+01  0.294372D+00
      3   0.119962D+01  0.208385D-01 -0.139154D+00 -0.419113D+00  0.168700D+00
                81            82            83            84            85 
      1   0.337440D+01  0.963277D+00 -0.632729D+00 -0.112953D+00 -0.186811D+00
      2   0.835065D+00  0.230217D+01 -0.576750D+00 -0.393984D+00 -0.107907D+01
      3  -0.908615D-01 -0.938627D+00 -0.765064D+00 -0.268968D+00  0.129287D+01
                86            87            88            89            90 
      1   0.695866D+00 -0.453880D+00 -0.599850D+00  0.409615D+01  0.217092D+01
      2   0.174026D+01  0.115762D+01 -0.480088D+01  0.143003D+01  0.992375D+01
      3   0.113366D+00 -0.113257D+01 -0.127014D+00 -0.165341D+01 -0.630261D+00
                91            92            93            94            95 
      1  -0.121112D+01 -0.177495D+01 -0.408768D+00 -0.118457D+01 -0.146368D+01
      2   0.221871D+01  0.290103D+00  0.373499D+01  0.674767D+00 -0.206500D+00
      3  -0.179419D+01 -0.407293D+01  0.975296D+00 -0.161978D+01 -0.275786D+01
                96            97            98            99           100 
      1  -0.255327D+00  0.707593D+00  0.835218D+00 -0.423924D+00  0.260051D+01
      2   0.170297D+01 -0.548615D+00  0.212157D-01 -0.755080D+00 -0.152117D+01
      3   0.976612D+00  0.593023D+00  0.932171D+00 -0.535604D+00 -0.690335D+01
               101           102           103           104           105 
      1  -0.259432D+01  0.419955D+01 -0.261011D+01  0.214626D+01 -0.357780D+01
      2  -0.143073D+00  0.896701D+00  0.275286D+00  0.382197D-01 -0.768872D+00
      3   0.459631D+01 -0.296166D+01  0.780647D+01 -0.510503D+01  0.280426D+01
               106           107           108           109           110 
      1   0.347877D+01 -0.231367D+01  0.374694D+01 -0.126620D+01  0.897497D+00
      2  -0.126037D+01 -0.260039D+00  0.485262D+00  0.795011D+00  0.112094D+00
      3  -0.620321D+01  0.368744D+01 -0.382545D+01 -0.100784D+01  0.589620D+00
               111           112           113           114           115 
      1   0.333572D+01  0.968029D+00 -0.252127D+01 -0.266997D+01  0.353782D+01
      2  -0.141417D+00  0.199816D+00  0.146720D-01 -0.132741D+00 -0.274311D+01
      3   0.784283D+00  0.163657D+01 -0.107519D+01 -0.119989D+01  0.392710D+01
               116           117           118           119           120 
      1  -0.302374D+01 -0.137719D+02 -0.576563D+00  0.697888D+00  0.203955D-01
      2   0.162836D+00  0.560601D+00  0.628605D+01 -0.193075D+01  0.797246D+01
      3  -0.136914D+01 -0.365021D+01  0.668264D+01 -0.677489D+01  0.285569D+01
               121           122           123           124           125 
      1  -0.580631D-01 -0.737726D+00 -0.563761D+00 -0.347690D+00  0.168786D+01
      2  -0.219554D+01  0.247641D+01 -0.435872D+01  0.530195D+01 -0.251605D+01
      3  -0.425468D+01  0.405096D+01 -0.267121D+01  0.324330D+01 -0.477283D+01
               126           127           128           129           130 
      1  -0.147198D-02  0.586503D+00 -0.339680D+00 -0.741206D+00  0.398512D-01
      2   0.522268D+01 -0.251205D+01 -0.321188D-01  0.462048D+01  0.953867D-01
      3   0.318117D+01  0.147594D+01 -0.178862D+01 -0.592196D+00 -0.678103D+00
               131           132           133           134           135 
      1   0.705247D+00 -0.297380D+00 -0.950001D+00  0.342417D+01  0.297218D+01
      2  -0.197242D+01 -0.293767D+01  0.372294D+01 -0.133669D+01 -0.202119D+02
      3   0.867280D-01  0.174936D+01 -0.566949D+00  0.446972D+01  0.258114D+01
               136           137           138           139           140 
      1  -0.173928D+00 -0.315583D+00 -0.555224D+00 -0.151298D+00 -0.855053D+00
      2   0.122255D+01 -0.359887D-01  0.127173D+01 -0.152925D+00  0.212638D+01
      3  -0.203173D+01 -0.248075D+01  0.166237D-01  0.278273D+00 -0.229486D+02
               141           142           143           144           145 
      1  -0.296140D+01 -0.599024D+00  0.432610D+00 -0.305814D-01  0.342145D+01
      2   0.363161D+01  0.398532D+00  0.206317D+01 -0.362118D+00  0.101862D+01
      3  -0.199423D+01  0.327717D+00 -0.263462D+01 -0.140194D+01 -0.629932D+01
               146           147           148           149           150 
      1  -0.115940D+01  0.454455D+01 -0.165577D+01  0.206409D+01 -0.371687D+01
      2  -0.114731D+01  0.356887D+01 -0.412503D+00  0.137675D+01 -0.218840D+01
      3  -0.537967D+00 -0.248528D+01  0.444380D+01 -0.341445D+00  0.423930D+00
               151           152           153           154           155 
      1   0.290703D+01 -0.153027D+01  0.274233D+01  0.283412D+01  0.431226D+00
      2   0.246887D+00 -0.194930D+01  0.193798D+01  0.291840D+01  0.653557D+00
      3  -0.418677D+01 -0.921753D+00 -0.869652D+00  0.167766D+02  0.550356D+01
               156           157           158           159           160 
      1  -0.344594D+01  0.778988D+00  0.109538D+01 -0.279983D+01 -0.207962D+01
      2   0.469389D+00  0.730428D+00  0.103748D+01  0.225265D-01 -0.249073D+01
      3  -0.388904D+01  0.809346D+01  0.526900D+01 -0.207841D+01 -0.500110D+01
               161           162           163           164           165 
      1  -0.837746D+00  0.980926D+00 -0.101834D+01  0.150328D-01  0.106664D+01
      2  -0.960514D+00  0.259038D+00 -0.486098D+00  0.124608D+00  0.120500D+01
      3  -0.198893D+01  0.289870D+01  0.974960D+00  0.337076D+00  0.684847D+00
               166           167           168           169           170 
      1   0.215124D+00 -0.203580D+01 -0.400127D+01  0.125389D+01 -0.174923D+01
      2  -0.289055D+00 -0.110470D+01 -0.119978D+01 -0.225102D+01 -0.261418D+01
      3   0.200904D+01  0.584744D+00  0.956892D+00  0.280816D+01  0.303515D+01
               171 
      1  -0.146783D+02
      2  -0.746425D+01
      3   0.179518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104408D+02  0.117094D+02 -0.790591D+01  0.864315D+01 -0.123094D+02
      2  -0.172890D+02 -0.487301D+01  0.331932D+01 -0.277657D+01  0.169462D+02
      3   0.684816D+01 -0.683640D+01  0.458659D+01 -0.586658D+01 -0.463677D+01
      4   0.771825D+01 -0.199541D+02  0.132889D+02 -0.179539D+02 -0.341451D+01
      5  -0.741810D+01  0.614319D+01 -0.458450D+01  0.415697D+01 -0.357090D+01
      6   0.161266D+02 -0.174247D+01  0.404710D+01 -0.176923D+01  0.803053D+01
                 6             7             8             9            10 
      1  -0.799676D+00 -0.845910D+01  0.915102D-01  0.463029D+01 -0.140895D+02
      2   0.546496D+01  0.211561D+01  0.684808D+01 -0.497268D+01  0.101428D+02
      3  -0.466528D+01  0.634349D+01 -0.693959D+01  0.342386D+00  0.394674D+01
      4  -0.408653D+01  0.126425D+02 -0.633290D+01  0.100643D+02 -0.133196D+02
      5   0.553145D+01 -0.602183D+01  0.775530D+01  0.123735D+02  0.590267D+01
      6  -0.907453D+01  0.518262D+01 -0.131385D+02 -0.196590D+02 -0.229943D+01
                11            12            13            14            15 
      1  -0.141060D+02  0.412353D+01 -0.174580D+02  0.108322D+02  0.212051D+01
      2   0.755834D+01 -0.434419D+01  0.104568D+02 -0.129218D+02 -0.260613D+00
      3   0.654765D+01  0.220667D+00  0.700128D+01  0.208957D+01 -0.185989D+01
      4   0.463331D+01 -0.955150D+00  0.524731D+01  0.883106D+01  0.182119D+01
      5  -0.120846D-01  0.261579D+01  0.483140D-01  0.182402D+01 -0.477792D+01
      6   0.460624D+00 -0.125246D+01  0.811193D+00 -0.232046D+01 -0.694199D-01
                16            17            18            19            20 
      1   0.973729D+01  0.272806D+01  0.951298D+01 -0.131878D+02 -0.501273D+01
      2  -0.498147D+01 -0.376137D+00  0.541695D+01  0.135523D+02  0.851892D+01
      3  -0.475582D+01 -0.235192D+01 -0.149299D+02 -0.364512D+00 -0.350619D+01
      4  -0.126441D+01  0.238251D+01 -0.460996D+01  0.148360D+01  0.282746D+01
      5   0.862974D+01 -0.391902D+01 -0.188498D+02  0.672449D+01  0.131166D+01
      6  -0.747981D+00  0.516965D+01  0.261385D+00  0.168376D+01 -0.188748D+00
                21            22            23            24            25 
      1   0.255341D+01  0.769560D+01  0.116242D+02  0.570679D+01 -0.362740D+01
      2  -0.299062D+01 -0.696344D+01 -0.213509D+02 -0.327542D+01 -0.867628D+00
      3   0.437206D+00 -0.732152D+00  0.972666D+01 -0.243137D+01  0.449503D+01
      4   0.262280D+01 -0.103123D+02 -0.336218D+00  0.188229D+01  0.109830D+01
      5  -0.336394D+00  0.376274D+01  0.451846D+01  0.216452D+00  0.639221D+00
      6   0.387303D+00  0.210060D+01 -0.829701D+00 -0.270687D+01 -0.778999D-02
                26            27            28            29            30 
      1   0.446648D+01  0.629769D+01 -0.752464D+01 -0.635884D+00 -0.800577D+01
      2  -0.556382D+01  0.823835D+01  0.931429D+01  0.876200D+00  0.662974D+01
      3   0.109734D+01 -0.145360D+02 -0.178965D+01 -0.240317D+00  0.137603D+01
      4  -0.327344D+01  0.389145D+00 -0.517055D+01 -0.543408D+01 -0.678108D+01
      5   0.849162D+00  0.231881D+01 -0.187580D+02 -0.785217D+01 -0.187847D+02
      6   0.215713D+01  0.609183D+01 -0.521793D+01 -0.366605D+01 -0.562882D+01
                31            32            33            34            35 
      1  -0.455316D+01 -0.448897D+01 -0.409156D+01 -0.210922D+02 -0.874905D+01
      2   0.179971D+01  0.732977D+01  0.548122D+01  0.952673D+01  0.106859D+01
      3   0.275344D+01 -0.284080D+01 -0.138966D+01  0.115654D+02  0.768046D+01
      4   0.329910D+01 -0.970911D+01 -0.263266D+01 -0.131318D+02 -0.581321D+01
      5  -0.110783D+02 -0.634645D+01 -0.104924D+02 -0.190046D+02 -0.292615D+01
      6  -0.153814D+01 -0.563736D+01  0.397361D+00 -0.503341D+00 -0.828786D+01
                36            37            38            39            40 
      1  -0.272759D+01 -0.189802D+02 -0.797380D+01  0.515221D+01 -0.123103D+02
      2   0.764363D+01  0.834383D+01  0.347106D+01 -0.157646D+01  0.755694D+01
      3  -0.491604D+01  0.106364D+02  0.450274D+01 -0.357575D+01  0.475333D+01
      4  -0.267619D+01 -0.121509D+02 -0.484084D+00  0.601565D+01 -0.775046D+00
      5  -0.466081D+01  0.117573D+02  0.814826D+01  0.710812D+00  0.949268D+01
      6  -0.285946D+01  0.584503D+01  0.109657D+01 -0.221657D+01  0.203158D+01
                41            42            43            44            45 
      1  -0.615425D+01  0.540263D+01  0.224777D+01  0.125766D+01 -0.122651D+02
      2   0.498727D+01 -0.460174D+01  0.370256D+01  0.237687D+01 -0.110888D+02
      3   0.116698D+01 -0.800889D+00 -0.595033D+01 -0.363453D+01  0.233539D+02
      4  -0.367696D+01 -0.415929D+01  0.513001D+01 -0.350816D+01 -0.385818D+01
      5  -0.276467D+01 -0.436602D+01  0.102561D+02 -0.296908D+01 -0.209016D+02
      6   0.164609D+01  0.564152D+01 -0.270405D+01  0.830239D+01 -0.144878D+01
                46            47            48            49            50 
      1   0.114681D+01  0.229652D+02 -0.178561D+02  0.270951D+02 -0.356491D+01
      2   0.360494D+00 -0.138339D+02  0.844319D+01 -0.177923D+02 -0.395975D+01
      3  -0.150730D+01 -0.913131D+01  0.941288D+01 -0.930277D+01  0.752467D+01
      4   0.228536D+02 -0.187416D+01  0.239908D+01 -0.651360D+01 -0.257373D+02
      5  -0.199477D+02  0.314014D+01 -0.133319D+02  0.433525D+01 -0.934385D+01
      6  -0.205733D+00 -0.316342D+00  0.202169D+00 -0.157832D+01 -0.235660D+01
                51            52            53            54            55 
      1   0.592429D+01 -0.237365D+02  0.365164D+01 -0.126181D+02  0.165735D+02
      2  -0.311405D+01  0.949985D+01 -0.192238D+01  0.145855D+02 -0.156164D+02
      3  -0.281024D+01  0.142366D+02 -0.172926D+01 -0.196741D+01 -0.957071D+00
      4  -0.735948D+01  0.339216D+01 -0.621176D+01  0.857369D+01  0.791340D+01
      5   0.109876D+02 -0.206765D+02  0.930270D+01  0.289222D+02 -0.243685D+01
      6   0.119875D+01  0.438896D+00 -0.812827D+00  0.155091D+01  0.566239D+01
                56            57            58            59            60 
      1  -0.253503D+01  0.849597D-02 -0.683889D+01 -0.195880D+02 -0.412084D+01
      2   0.562329D+01 -0.253589D+01  0.131730D+02  0.329777D+02  0.538144D+01
      3  -0.308826D+01  0.252739D+01 -0.633409D+01 -0.133897D+02 -0.126060D+01
      4  -0.650184D+01  0.411234D+01  0.186443D+01  0.126058D+02 -0.437523D+01
      5   0.247195D+01  0.799481D+00 -0.125326D+00 -0.362808D+01  0.198784D+01
      6  -0.468995D+01  0.117033D+02 -0.543776D+01  0.591873D+01  0.134070D+01
                61            62            63            64            65 
      1   0.203694D+01 -0.931435D+00  0.210041D+01  0.386487D+02  0.904341D+01
      2  -0.269780D+01  0.581728D+01 -0.192507D+01 -0.256731D+02 -0.479338D+01
      3   0.660856D+00 -0.488585D+01 -0.175341D+00 -0.129756D+02 -0.425003D+01
      4   0.490763D+01 -0.346560D+01  0.106834D+02  0.136459D+02  0.152978D+02
      5   0.205141D+01  0.389102D+01  0.426770D+00  0.283293D+02  0.690044D+01
      6   0.142567D+02 -0.144038D+01 -0.136846D+02  0.528182D+01  0.646546D+01
                66            67            68            69            70 
      1   0.131072D+02  0.524044D+01  0.435105D+00 -0.547587D+00  0.185108D+02
      2  -0.120921D+02 -0.630424D+00  0.555158D+01  0.719785D-01 -0.171186D+02
      3  -0.101506D+01 -0.461001D+01 -0.598669D+01  0.475609D+00 -0.139217D+01
      4   0.671993D+01  0.167019D+02  0.176017D+02  0.111466D+02  0.917862D+01
      5   0.277386D+02  0.852617D+01  0.128625D+02  0.111002D+02  0.285126D+02
      6   0.511616D+01  0.487265D+01  0.907767D+01  0.114232D+02  0.542458D+01
                71            72            73            74            75 
      1   0.343439D+01  0.137196D+01  0.103696D+01 -0.116542D+00  0.321442D-01
      2  -0.407881D+01 -0.150173D+02 -0.404636D+01  0.487263D-01  0.147930D+01
      3   0.644415D+00  0.136454D+02  0.300939D+01  0.678155D-01 -0.151144D+01
      4   0.111197D+02  0.762578D+01  0.546013D+00  0.148223D+01 -0.123657D+01
      5   0.971680D+01  0.346190D+02 -0.236633D+01 -0.359467D+00  0.631919D+01
      6   0.121383D+02  0.902385D+01 -0.122686D+01 -0.728340D+00  0.860645D+00
                76            77            78            79            80 
      1   0.921454D-01 -0.404634D+01 -0.672313D+00  0.423109D+00  0.140151D+01
      2   0.191526D+00  0.154459D+01 -0.141816D+01  0.197714D+01 -0.205536D+01
      3  -0.283671D+00  0.250175D+01  0.209048D+01 -0.240025D+01  0.653853D+00
      4   0.203771D+01 -0.324466D+00 -0.636873D+00 -0.596869D+00  0.655703D-01
      5  -0.939124D-01 -0.102810D+01 -0.666572D+00  0.437702D+01  0.264810D+00
      6  -0.608051D+00 -0.151898D+00  0.562882D+01  0.128551D+00  0.398415D+01
                81            82            83            84            85 
      1  -0.150494D+02  0.158985D+01  0.229068D+01  0.260824D+01  0.287271D+01
      2  -0.139209D+02 -0.413952D+01 -0.850863D+00  0.241031D+00 -0.163966D+01
      3   0.289703D+02  0.254967D+01 -0.143982D+01 -0.284927D+01 -0.123305D+01
      4   0.724700D+00  0.214965D+01  0.793137D+00  0.110921D+00  0.132601D+01
      5  -0.299269D+01  0.594701D+00  0.203285D+00  0.477394D+01  0.503264D-01
      6  -0.705024D+01  0.678020D-01 -0.419230D+00 -0.433800D+00 -0.228762D+00
                86            87            88            89            90 
      1  -0.474853D+01 -0.156256D+01  0.434564D+01 -0.701330D+00 -0.163629D+02
      2   0.168211D+01 -0.117203D+01 -0.153108D+01 -0.234345D+01 -0.146047D+02
      3   0.306642D+01  0.273459D+01 -0.281456D+01  0.304478D+01  0.309676D+02
      4  -0.438837D+00  0.206151D+01  0.451133D+00  0.302693D+01  0.232973D+01
      5   0.225919D+01  0.204333D+01  0.292999D+01  0.174134D+01  0.168572D+02
      6   0.193547D+01  0.674395D+01  0.848933D-01  0.393326D+01  0.279291D+00
                91            92            93            94            95 
      1   0.372043D+02  0.832322D+01 -0.123273D+02  0.982208D+01  0.482970D+01
      2  -0.213917D+02 -0.426402D+01  0.907520D+01 -0.443524D+01 -0.105392D+01
      3  -0.158125D+02 -0.405920D+01  0.325213D+01 -0.538685D+01 -0.377578D+01
      4   0.112376D+02  0.769152D+01 -0.455163D+01  0.105989D+02  0.611558D+01
      5  -0.243512D+02 -0.620875D+01  0.154124D+02 -0.871156D+01 -0.566104D+01
      6  -0.545729D+01 -0.334821D+01  0.304835D+01 -0.424599D+01 -0.296896D+01
                96            97            98            99           100 
      1  -0.383268D+01 -0.162588D+01 -0.136295D-01  0.262428D+01 -0.224413D+01
      2   0.276090D+01  0.383170D+01  0.879873D+00 -0.432936D+01  0.835176D+01
      3   0.107178D+01 -0.220582D+01 -0.866244D+00  0.170509D+01 -0.610763D+01
      4  -0.448051D+01 -0.104991D+01 -0.116885D+01  0.167197D+01 -0.116124D+02
      5   0.596447D+01  0.804878D+01  0.215483D+01 -0.813597D+01  0.353517D+01
      6   0.336152D+01  0.143098D+01  0.157917D+01 -0.181578D+01 -0.696636D+01
               101           102           103           104           105 
      1   0.701207D+01 -0.209888D+01  0.437383D+01 -0.109174D+02  0.327011D+01
      2  -0.143219D+02  0.416163D+01 -0.997432D+01  0.202614D+02 -0.590549D+01
      3   0.730980D+01 -0.206275D+01  0.560049D+01 -0.934402D+01  0.263538D+01
      4   0.161357D+02 -0.623404D+01  0.139270D+02 -0.131672D+02  0.549923D+01
      5  -0.331579D+01  0.397278D+01 -0.158294D+01  0.302082D+01 -0.184512D+01
      6   0.857517D+01 -0.770110D+01  0.670891D+01 -0.881255D+01  0.784997D+01
               106           107           108           109           110 
      1  -0.355614D+01  0.653899D+01 -0.540741D+01 -0.167612D+01  0.172605D+01
      2   0.503653D+01 -0.937662D+01  0.446337D+01  0.217563D+01 -0.219708D+01
      3  -0.148039D+01  0.283763D+01  0.944038D+00 -0.499508D+00  0.471028D+00
      4  -0.900566D+01  0.840185D+01 -0.686755D+01 -0.122377D+01  0.459724D+01
      5   0.396697D+01 -0.329352D+01  0.351320D+01 -0.130391D+01  0.680068D+00
      6  -0.799960D+01  0.112133D+02 -0.942739D+01  0.120959D+01 -0.346661D+01
               111           112           113           114           115 
      1   0.190589D+01  0.572811D+00 -0.421077D+01 -0.222216D+01  0.136507D+01
      2  -0.157434D+01 -0.989870D+00  0.577985D+01  0.321395D+01 -0.129036D+01
      3  -0.331555D+00  0.417059D+00 -0.156908D+01 -0.991797D+00 -0.747067D-01
      4   0.163762D+01  0.400406D+01 -0.158513D+01 -0.261858D+01  0.532736D+01
      5   0.258975D+01  0.300132D+00 -0.141720D+01 -0.996992D+00  0.237530D+01
      6  -0.508161D+01 -0.293988D+01  0.359245D+01  0.688695D+01 -0.593789D+01
               116           117           118           119           120 
      1  -0.770393D+01 -0.934873D+01  0.522205D+02 -0.110679D+02  0.160350D+02
      2   0.853904D+01  0.169349D+01 -0.286426D+02  0.568984D+01 -0.962850D+01
      3  -0.835109D+00  0.765523D+01 -0.235779D+02  0.537807D+01 -0.640648D+01
      4  -0.377772D+01 -0.466019D+01 -0.109154D+02  0.104775D+02 -0.368176D+01
      5  -0.194975D+01 -0.372612D+01  0.189049D+02 -0.438400D+01  0.157092D+02
      6   0.106573D+02  0.239902D+02 -0.280693D+00  0.572373D+00  0.141338D+00
               121           122           123           124           125 
      1  -0.217422D+02  0.757137D+01 -0.510806D+01  0.252608D+02 -0.382998D+01
      2   0.117313D+02 -0.180839D+01  0.311365D+01 -0.154048D+02  0.248883D+01
      3   0.100109D+02 -0.576298D+01  0.199441D+01 -0.985600D+01  0.134115D+01
      4   0.124871D+02 -0.743726D+01  0.564206D+01 -0.498578D+01  0.755942D+01
      5  -0.716334D+01  0.580536D+01 -0.815288D+01  0.190508D+02 -0.550981D+01
      6   0.140675D+01 -0.149377D+01  0.183756D+01 -0.685941D+00  0.224593D+01
               126           127           128           129           130 
      1   0.116077D+02  0.856090D+01 -0.245976D+01 -0.550833D+01 -0.580975D+01
      2  -0.106534D+02 -0.713160D+01  0.165972D+01  0.464035D+01  0.386475D+01
      3  -0.954271D+00 -0.142929D+01  0.800041D+00  0.867977D+00  0.194500D+01
      4  -0.480778D+01 -0.189958D+01  0.263831D+01  0.187602D-01  0.417065D+01
      5   0.128008D+02 -0.688647D+01  0.441476D+00  0.122107D+02  0.218718D+01
      6  -0.129409D+01  0.856521D-01 -0.113758D+00  0.836890D+00 -0.143955D+01
               131           132           133           134           135 
      1   0.252139D+00 -0.169923D+00 -0.130035D+02 -0.781973D+00  0.326892D+01
      2  -0.157522D+00 -0.127810D+01  0.116286D+02 -0.289771D+00 -0.174547D+02
      3  -0.946171D-01  0.144803D+01  0.137490D+01  0.107174D+01  0.141858D+02
      4   0.162922D+00 -0.445294D+01 -0.638975D+00 -0.755305D+01 -0.279832D+01
      5  -0.404446D+01 -0.578778D+01  0.205628D+02 -0.261949D+01 -0.408847D+02
      6   0.144150D+01  0.389066D+01  0.277869D+00  0.449142D+01 -0.187017D+01
               136           137           138           139           140 
      1   0.331456D+01  0.285837D+01  0.228653D+01  0.115600D+02 -0.636926D+00
      2   0.724608D+00  0.129341D+01 -0.105497D+01 -0.305362D+01  0.151396D+02
      3  -0.403917D+01 -0.415178D+01 -0.123156D+01 -0.850641D+01 -0.145027D+02
      4   0.535204D+01  0.994606D+01  0.570131D+00  0.154867D+02  0.403509D+02
      5   0.214588D+01  0.257144D+00  0.271820D+01  0.352767D+00  0.466220D+01
      6   0.248717D+00 -0.933375D-01  0.672362D+00  0.870346D+00  0.201312D+01
               141           142           143           144           145 
      1  -0.860327D+00  0.424616D+01 -0.779234D+00  0.817426D+00  0.132260D+02
      2   0.145607D+01 -0.185025D+01  0.124158D+01 -0.956433D+00  0.951181D+00
      3  -0.595745D+00 -0.239591D+01 -0.462350D+00  0.139008D+00 -0.141771D+02
      4   0.380632D+01  0.136154D+01  0.452184D+01  0.360195D+01 -0.261054D+02
      5   0.657615D+01  0.512538D+01  0.425217D+01 -0.577999D+00  0.905555D+01
      6   0.466116D+01  0.102087D+01  0.517949D+01  0.156234D+01 -0.921825D+01
               146           147           148           149           150 
      1  -0.246659D+01  0.312505D+01 -0.216458D+01 -0.290337D+01  0.150216D+01
      2  -0.948027D+01  0.229937D-01 -0.675344D+01  0.145002D+02 -0.477061D+01
      3   0.119469D+02 -0.314805D+01  0.891802D+01 -0.115968D+02  0.326845D+01
      4   0.239663D+02 -0.101304D+02  0.184577D+02 -0.193358D+02  0.739947D+01
      5  -0.586503D+01  0.836853D+01 -0.390285D+01  0.565042D+01 -0.448913D+01
      6   0.729526D+01 -0.892076D+01  0.562576D+01 -0.869022D+01  0.822491D+01
               151           152           153           154           155 
      1   0.435462D+01  0.253937D+01 -0.890009D+00 -0.837140D+01 -0.137818D+02
      2  -0.506642D+00 -0.727821D+01  0.923149D+00  0.103727D+02  0.176457D+02
      3  -0.384797D+01  0.473883D+01 -0.331394D-01 -0.200126D+01 -0.386397D+01
      4  -0.122621D+02  0.114800D+02 -0.964902D+01  0.151836D+02  0.805042D+01
      5   0.851220D+01 -0.667073D+01  0.701920D+01 -0.104010D+01 -0.136195D+01
      6  -0.779104D+01  0.103826D+02 -0.754567D+01 -0.713618D+01 -0.508875D+01
               156           157           158           159           160 
      1   0.464914D+01 -0.858193D+01 -0.105267D+02  0.342071D+01  0.464710D+01
      2  -0.347271D+01  0.108289D+02  0.155927D+02 -0.429172D+01 -0.270296D+01
      3  -0.117642D+01 -0.224698D+01 -0.506597D+01  0.871008D+00 -0.194414D+01
      4  -0.482247D+01  0.978488D+01  0.543436D+01 -0.162089D+01 -0.571366D+01
      5   0.171178D+01 -0.506479D+00 -0.271134D+00 -0.215220D+00  0.273470D+01
      6   0.640463D+01 -0.364540D+01 -0.510944D+01  0.592747D+01  0.437342D+01
               161           162           163           164           165 
      1   0.540595D+01 -0.534904D+01 -0.506757D+00 -0.161217D+01 -0.139560D+01
      2  -0.666188D+01  0.314654D+01  0.949603D+00  0.149030D+00  0.101259D+01
      3   0.125593D+01  0.220250D+01 -0.442847D+00  0.146314D+01  0.383004D+00
      4  -0.637675D+00  0.147332D+01 -0.256567D+01  0.549047D+01  0.219264D+01
      5  -0.694591D+00 -0.180395D+01 -0.207462D+01  0.957315D+00  0.502134D+01
      6   0.721637D+01 -0.337572D+01  0.179732D+01 -0.603653D+00 -0.218509D+01
               166           167           168           169           170 
      1  -0.589199D+00 -0.463533D+01 -0.422332D+01 -0.231904D+01 -0.888879D+01
      2  -0.433671D+00  0.533166D+01  0.487136D+01  0.138839D+01  0.982250D+01
      3   0.102287D+01 -0.696329D+00 -0.648043D+00  0.930654D+00 -0.933705D+00
      4   0.419807D+01 -0.281930D+01 -0.246902D+01  0.515995D+01 -0.681540D+01
      5  -0.477896D-01 -0.252711D+01 -0.261743D+01  0.596661D+01 -0.625580D+01
      6  -0.630028D+00  0.601110D+01  0.104713D+02 -0.312158D+01  0.148083D+02
               171 
      1  -0.113034D+02
      2  -0.277551D+00
      3   0.115810D+02
      4  -0.721079D+01
      5  -0.159505D+02
      6   0.285667D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.804836D+02      0.119264D+02      0.132700D+02
   aniso      0.138318D+02      0.204966D+01      0.228056D+01
   xx         0.880366D+02      0.130457D+02      0.145153D+02
   yx         0.312019D+01      0.462365D+00      0.514450D+00
   yy         0.797792D+02      0.118221D+02      0.131538D+02
   zx         0.366680D+00      0.543364D-01      0.604574D-01
   zy         0.129569D+01      0.192002D+00      0.213631D+00
   zz         0.736350D+02      0.109116D+02      0.121408D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.804836D+02      0.119264D+02      0.132700D+02
   aniso      0.138318D+02      0.204966D+01      0.228056D+01
   xx         0.880815D+02      0.130523D+02      0.145227D+02
   yx         0.312500D+01      0.463078D+00      0.515244D+00
   yy         0.786919D+02      0.116609D+02      0.129745D+02
   zx         0.427128D+00      0.632939D-01      0.704239D-01
   zy         0.254944D+01      0.377788D+00      0.420346D+00
   zz         0.746774D+02      0.110661D+02      0.123126D+02

 ----------------------------------------------------------------------
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 89\\\@


 ALL OUR THINKING ABOUT NATURE MUST NECESSARILY MOVE IN CIRCLES OR SPIRALS;
 FOR WE CAN ONLY UNDERSTAND NATURE IF WE THINK ABOUT HER, AND WE CAN ONLY
 THINK BECAUSE OUR BRAIN IS BUILT IN ACCORDANCE WITH NATURE'S LAWS.

                                             -- TIMOTHY FERRIS, "GALAXIES"
 Job cpu time:       0 days  2 hours 43 minutes 58.4 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 33.7 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:08:29 2021.
